2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C173H225N45O14 — CID 158849799

IUPAC2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)nc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(NC(C)=O)cc3)nc21
InChIInChI=1S/2C23H30N6O2.C22H30N6O.C22H27N5O3.C22H29N5O.C21H29N7O.C21H27N5O2.C19H23N5O2/c1-4-19(5-2)29-20(30)14-17-15-24-23(26-21(17)29)25-18-8-6-16(7-9-18)22(31)28-12-10-27(3)11-13-28;1-4-19(5-2)29-21(31)14-17-15-24-23(26-22(17)29)25-18-6-8-20(9-7-18)28-12-10-27(11-13-28)16(3)30;1-4-18(5-2)28-20(29)14-16-15-23-22(25-21(16)28)24-17-6-8-19(9-7-17)27-12-10-26(3)11-13-27;1-3-18(4-2)27-19(28)13-16-14-23-22(25-20(16)27)24-17-7-5-15(6-8-17)21(29)26-9-11-30-12-10-26;1-3-18(4-2)27-20(28)14-16-15-23-22(25-21(16)27)24-17-8-10-19(11-9-17)26-12-6-5-7-13-26;1-4-17(5-2)28-19(29)12-15-13-23-21(25-20(15)28)24-16-6-7-18(22-14-16)27-10-8-26(3)9-11-27;1-3-17(4-2)26-19(27)13-15-14-22-21(24-20(15)26)23-16-5-7-18(8-6-16)25-9-11-28-12-10-25;1-4-16(5-2)24-17(26)10-13-11-20-19(23-18(13)24)22-15-8-6-14(7-9-15)21-12(3)25/h2*6-9,15,19H,4-5,10-14H2,1-3H3,(H,24,25,26);6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,24,25);5-8,14,18H,3-4,9-13H2,1-2H3,(H,23,24,25);8-11,15,18H,3-7,12-14H2,1-2H3,(H,23,24,25);6-7,13-14,17H,4-5,8-12H2,1-3H3,(H,23,24,25);5-8,14,17H,3-4,9-13H2,1-2H3,(H,22,23,24);6-9,11,16H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyIZHLUEXNYHIFHZ-UHFFFAOYSA-N
MW3159.00 g/mol
LogP24.60
Rot. Bonds48

About 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158849799) has the molecular formula C173H225N45O14 and a molecular weight of 3159.00 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158849799
Molecular FormulaC173H225N45O14
Molecular Weight3159.00 g/mol
Exact Mass3156.83
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)nc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(NC(C)=O)cc3)nc21
InChIInChI=1S/2C23H30N6O2.C22H30N6O.C22H27N5O3.C22H29N5O.C21H29N7O.C21H27N5O2.C19H23N5O2/c1-4-19(5-2)29-20(30)14-17-15-24-23(26-21(17)29)25-18-8-6-16(7-9-18)22(31)28-12-10-27(3)11-13-28;1-4-19(5-2)29-21(31)14-17-15-24-23(26-22(17)29)25-18-6-8-20(9-7-18)28-12-10-27(11-13-28)16(3)30;1-4-18(5-2)28-20(29)14-16-15-23-22(25-21(16)28)24-17-6-8-19(9-7-17)27-12-10-26(3)11-13-27;1-3-18(4-2)27-19(28)13-16-14-23-22(25-20(16)27)24-17-7-5-15(6-8-17)21(29)26-9-11-30-12-10-26;1-3-18(4-2)27-20(28)14-16-15-23-22(25-21(16)27)24-17-8-10-19(11-9-17)26-12-6-5-7-13-26;1-4-17(5-2)28-19(29)12-15-13-23-21(25-20(15)28)24-16-6-7-18(22-14-16)27-10-8-26(3)9-11-27;1-3-17(4-2)26-19(27)13-15-14-22-21(24-20(15)26)23-16-5-7-18(8-6-16)25-9-11-28-12-10-25;1-4-16(5-2)24-17(26)10-13-11-20-19(23-18(13)24)22-15-8-6-14(7-9-15)21-12(3)25/h2*6-9,15,19H,4-5,10-14H2,1-3H3,(H,24,25,26);6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,24,25);5-8,14,18H,3-4,9-13H2,1-2H3,(H,23,24,25);8-11,15,18H,3-7,12-14H2,1-2H3,(H,23,24,25);6-7,13-14,17H,4-5,8-12H2,1-3H3,(H,23,24,25);5-8,14,17H,3-4,9-13H2,1-2H3,(H,22,23,24);6-9,11,16H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyIZHLUEXNYHIFHZ-UHFFFAOYSA-N
XLogP24.60
TPSA612.26 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds48
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003159.00
LogP ≤ 524.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158849799) is 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCN(C)CC4)nc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(NC(C)=O)cc3)nc21.
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IZHLUEXNYHIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30N6O2.C22H30N6O.C22H27N5O3.C22H29N5O.C21H29N7O.C21H27N5O2.C19H23N5O2/c1-4-19(5-2)29-20(30)14-17-15-24-23(26-21(17)29)25-18-8-6-16(7-9-18)22(31)28-12-10-27(3)11-13-28;1-4-19(5-2)29-21(31)14-17-15-24-23(26-22(17)29)25-18-6-8-20(9-7-18)28-12-10-27(11-13-28)16(3)30;1-4-18(5-2)28-20(29)14-16-15-23-22(25-21(16)28)24-17-6-8-19(9-7-17)27-12-10-26(3)11-13-27;1-3-18(4-2)27-19(28)13-16-14-23-22(25-20(16)27)24-17-7-5-15(6-8-17)21(29)26-9-11-30-12-10-26;1-3-18(4-2)27-20(28)14-16-15-23-22(25-21(16)27)24-17-8-10-19(11-9-17)26-12-6-5-7-13-26;1-4-17(5-2)28-19(29)12-15-13-23-21(25-20(15)28)24-16-6-7-18(22-14-16)27-10-8-26(3)9-11-27;1-3-17(4-2)26-19(27)13-15-14-22-21(24-20(15)26)23-16-5-7-18(8-6-16)25-9-11-28-12-10-25;1-4-16(5-2)24-17(26)10-13-11-20-19(23-18(13)24)22-15-8-6-14(7-9-15)21-12(3)25/h2*6-9,15,19H,4-5,10-14H2,1-3H3,(H,24,25,26);6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,24,25);5-8,14,18H,3-4,9-13H2,1-2H3,(H,23,24,25);8-11,15,18H,3-7,12-14H2,1-2H3,(H,23,24,25);6-7,13-14,17H,4-5,8-12H2,1-3H3,(H,23,24,25);5-8,14,17H,3-4,9-13H2,1-2H3,(H,22,23,24);6-9,11,16H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 3159.00 g/mol, XLogP of 24.60, 48 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazine-1-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[4-(morpholine-4-carbonyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-morpholin-4-ylanilino)-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide;7-pentan-3-yl-2-(4-piperidin-1-ylanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158849799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).