2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C196H201N39O14S — CID 159372604

IUPAC2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESC=C(C)Nc1cccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.COCCCOc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCSCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C5CC5)c4)cc3c2)c1C
InChIInChI=1S/C26H27N5O2.C25H28N6O.C25H25N5O2S.2C25H25N5O2.C24H26N4O3.C23H23N5O.C23H22N4O/c1-16-17(2)29-30-24(16)23(32)12-18-11-21-14-22(28-25(21)27-15-18)19-7-6-8-20(13-19)26(33)31-9-4-3-5-10-31;1-16-17(2)28-29-24(16)23(32)13-18-12-20-14-22(27-25(20)26-15-18)19-4-6-21(7-5-19)31-10-8-30(3)9-11-31;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-3-5-19(6-4-18)25(32)30-7-9-33-10-8-30;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-5-7-19(8-6-18)25(32)30-9-3-4-10-30;1-15-16(2)28-29-23(15)22(31)11-17-10-20-13-21(27-24(20)26-14-17)18-6-5-7-19(12-18)25(32)30-8-3-4-9-30;1-15-16(2)27-28-23(15)22(29)12-17-11-19-13-21(26-24(19)25-14-17)18-5-7-20(8-6-18)31-10-4-9-30-3;1-13(2)25-19-7-5-6-17(10-19)20-11-18-8-16(12-24-23(18)26-20)9-21(29)22-14(3)15(4)27-28-22;1-13-14(2)26-27-22(13)21(28)9-15-8-19-11-20(25-23(19)24-12-15)18-5-3-4-17(10-18)16-6-7-16/h6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,27,28)(H,29,30);4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,27)(H,28,29);3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,26,27)(H,28,29);5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,25,26)(H,27,28);5-8,10-12,25H,1,9H2,2-4H3,(H,24,26)(H,27,28);3-5,8,10-12,16H,6-7,9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLJXUQPHAIFRTAL-UHFFFAOYSA-N
MW3359.09 g/mol
LogP35.24
Rot. Bonds45

About 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 159372604) has the molecular formula C196H201N39O14S and a molecular weight of 3359.09 g/mol. Its IUPAC name is 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
PubChem CID159372604
Molecular FormulaC196H201N39O14S
Molecular Weight3359.09 g/mol
Exact Mass3356.59
IUPAC Name2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESC=C(C)Nc1cccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.COCCCOc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCSCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C5CC5)c4)cc3c2)c1C
InChIInChI=1S/C26H27N5O2.C25H28N6O.C25H25N5O2S.2C25H25N5O2.C24H26N4O3.C23H23N5O.C23H22N4O/c1-16-17(2)29-30-24(16)23(32)12-18-11-21-14-22(28-25(21)27-15-18)19-7-6-8-20(13-19)26(33)31-9-4-3-5-10-31;1-16-17(2)28-29-24(16)23(32)13-18-12-20-14-22(27-25(20)26-15-18)19-4-6-21(7-5-19)31-10-8-30(3)9-11-31;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-3-5-19(6-4-18)25(32)30-7-9-33-10-8-30;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-5-7-19(8-6-18)25(32)30-9-3-4-10-30;1-15-16(2)28-29-23(15)22(31)11-17-10-20-13-21(27-24(20)26-14-17)18-6-5-7-19(12-18)25(32)30-8-3-4-9-30;1-15-16(2)27-28-23(15)22(29)12-17-11-19-13-21(26-24(19)25-14-17)18-5-7-20(8-6-18)31-10-4-9-30-3;1-13(2)25-19-7-5-6-17(10-19)20-11-18-8-16(12-24-23(18)26-20)9-21(29)22-14(3)15(4)27-28-22;1-13-14(2)26-27-22(13)21(28)9-15-8-19-11-20(25-23(19)24-12-15)18-5-3-4-17(10-18)16-6-7-16/h6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,27,28)(H,29,30);4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,27)(H,28,29);3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,26,27)(H,28,29);5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,25,26)(H,27,28);5-8,10-12,25H,1,9H2,2-4H3,(H,24,26)(H,27,28);3-5,8,10-12,16H,6-7,9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLJXUQPHAIFRTAL-UHFFFAOYSA-N
XLogP35.24
TPSA713.65 Ų
H-Bond Donors17
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003359.09
LogP ≤ 535.24
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 159754519
1-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 159085224
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157407689
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 109460416
2-[2-(2-cyclohexyl-5-methyl-1H-pyrazol-2-ium-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone
CID 159951013
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-piperidin-1-ylmethanone
CID 146274420
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 26159412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 159372604) is 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is C=C(C)Nc1cccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c1.COCCCOc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cc1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(C(=O)N5CCSCC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)N5CCCCC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C5CC5)c4)cc3c2)c1C.
What is the InChIKey of 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is LJXUQPHAIFRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.C25H28N6O.C25H25N5O2S.2C25H25N5O2.C24H26N4O3.C23H23N5O.C23H22N4O/c1-16-17(2)29-30-24(16)23(32)12-18-11-21-14-22(28-25(21)27-15-18)19-7-6-8-20(13-19)26(33)31-9-4-3-5-10-31;1-16-17(2)28-29-24(16)23(32)13-18-12-20-14-22(27-25(20)26-15-18)19-4-6-21(7-5-19)31-10-8-30(3)9-11-31;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-3-5-19(6-4-18)25(32)30-7-9-33-10-8-30;1-15-16(2)28-29-23(15)22(31)12-17-11-20-13-21(27-24(20)26-14-17)18-5-7-19(8-6-18)25(32)30-9-3-4-10-30;1-15-16(2)28-29-23(15)22(31)11-17-10-20-13-21(27-24(20)26-14-17)18-6-5-7-19(12-18)25(32)30-8-3-4-9-30;1-15-16(2)27-28-23(15)22(29)12-17-11-19-13-21(26-24(19)25-14-17)18-5-7-20(8-6-18)31-10-4-9-30-3;1-13(2)25-19-7-5-6-17(10-19)20-11-18-8-16(12-24-23(18)26-20)9-21(29)22-14(3)15(4)27-28-22;1-13-14(2)26-27-22(13)21(28)9-15-8-19-11-20(25-23(19)24-12-15)18-5-3-4-17(10-18)16-6-7-16/h6-8,11,13-15H,3-5,9-10,12H2,1-2H3,(H,27,28)(H,29,30);4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,27)(H,28,29);3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,26,27)(H,28,29);5-7,10,12-14H,3-4,8-9,11H2,1-2H3,(H,26,27)(H,28,29);5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,25,26)(H,27,28);5-8,10-12,25H,1,9H2,2-4H3,(H,24,26)(H,27,28);3-5,8,10-12,16H,6-7,9H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 3359.09 g/mol, XLogP of 35.24, 45 rotatable bonds, 17 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(3-methoxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(piperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(thiomorpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 159372604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).