N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole

C104H108N28O2S3 — CID 158733928

IUPACN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN1CCC(c2csc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)n2)CC1.CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5csc(C(=O)N6CCCCC6)n5)c4c3)cc2)CC1.Cn1cc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)cc4)cc23)cn1.c1nc2[nH]cc(-c3cn[nH]c3)c2cc1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C27H30N6OS.C21H21N5O.C20H22N6S.C18H18N6S.C18H17N5/c1-31-11-13-32(14-12-31)21-7-5-19(6-8-21)20-15-22-23(17-29-25(22)28-16-20)24-18-35-26(30-24)27(34)33-9-3-2-4-10-33;1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26;1-25-5-3-13(4-6-25)18-12-27-20(24-18)14-7-16-17(10-22-19(16)21-8-14)15-9-23-26(2)11-15;1-3-19-4-2-11(1)18-24-16(10-25-18)12-5-14-15(13-7-22-23-8-13)9-21-17(14)20-6-12;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h5-8,15-18H,2-4,9-14H2,1H3,(H,28,29);2-5,10-14H,6-9H2,1H3,(H,22,23);7-13H,3-6H2,1-2H3,(H,21,22);5-11,19H,1-4H2,(H,20,21)(H,22,23);3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyILKZQHFYSJNCCC-UHFFFAOYSA-N
MW1878.40 g/mol
LogP19.32
Rot. Bonds16

About N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole

N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole (PubChem CID 158733928) has the molecular formula C104H108N28O2S3 and a molecular weight of 1878.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole
PubChem CID158733928
Molecular FormulaC104H108N28O2S3
Molecular Weight1878.40 g/mol
Exact Mass1876.84
IUPAC NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN1CCC(c2csc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)n2)CC1.CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5csc(C(=O)N6CCCCC6)n5)c4c3)cc2)CC1.Cn1cc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)cc4)cc23)cn1.c1nc2[nH]cc(-c3cn[nH]c3)c2cc1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C27H30N6OS.C21H21N5O.C20H22N6S.C18H18N6S.C18H17N5/c1-31-11-13-32(14-12-31)21-7-5-19(6-8-21)20-15-22-23(17-29-25(22)28-16-20)24-18-35-26(30-24)27(34)33-9-3-2-4-10-33;1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26;1-25-5-3-13(4-6-25)18-12-27-20(24-18)14-7-16-17(10-22-19(16)21-8-14)15-9-23-26(2)11-15;1-3-19-4-2-11(1)18-24-16(10-25-18)12-5-14-15(13-7-22-23-8-13)9-21-17(14)20-6-12;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h5-8,15-18H,2-4,9-14H2,1H3,(H,28,29);2-5,10-14H,6-9H2,1H3,(H,22,23);7-13H,3-6H2,1-2H3,(H,21,22);5-11,19H,1-4H2,(H,20,21)(H,22,23);3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyILKZQHFYSJNCCC-UHFFFAOYSA-N
XLogP19.32
TPSA332.84 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001878.40
LogP ≤ 519.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole?
The IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole (CID 158733928) is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole.
What is the SMILES notation for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole?
The canonical SMILES for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN1CCC(c2csc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)n2)CC1.CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5csc(C(=O)N6CCCCC6)n5)c4c3)cc2)CC1.Cn1cc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)cc4)cc23)cn1.c1nc2[nH]cc(-c3cn[nH]c3)c2cc1-c1csc(C2CCNCC2)n1.
What is the InChIKey of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole?
The InChIKey is ILKZQHFYSJNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6OS.C21H21N5O.C20H22N6S.C18H18N6S.C18H17N5/c1-31-11-13-32(14-12-31)21-7-5-19(6-8-21)20-15-22-23(17-29-25(22)28-16-20)24-18-35-26(30-24)27(34)33-9-3-2-4-10-33;1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26;1-25-5-3-13(4-6-25)18-12-27-20(24-18)14-7-16-17(10-22-19(16)21-8-14)15-9-23-26(2)11-15;1-3-19-4-2-11(1)18-24-16(10-25-18)12-5-14-15(13-7-22-23-8-13)9-21-17(14)20-6-12;1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h5-8,15-18H,2-4,9-14H2,1H3,(H,28,29);2-5,10-14H,6-9H2,1H3,(H,22,23);7-13H,3-6H2,1-2H3,(H,21,22);5-11,19H,1-4H2,(H,20,21)(H,22,23);3-11H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole?
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole has a molecular weight of 1878.40 g/mol, XLogP of 19.32, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)-2-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole;4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine;2-piperidin-4-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole is sourced from PubChem (CID 158733928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).