N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C101H80N20O9 — CID 159539211

About N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 159539211) has the molecular formula C101H80N20O9 and a molecular weight of 1717.88 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• PubChem CID: 159539211
• Molecular Formula: C101H80N20O9
• Molecular Weight: 1717.88 g/mol
• Exact Mass: 1716.64
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• SMILES: O=C(NCc1ccccn1)c1ccc(-c2cnc3[nH]cc(C4=CCN=C4)c3c2)cc1.O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)N1CCC2(CC1)OCCO2
• InChI: InChI=1S/C29H21N5O2.C24H23N5O3.C24H17N5O3.C24H19N5O/c35-29(34-23-10-12-25(13-11-23)36-24-4-2-1-3-5-24)20-8-6-19(7-9-20)21-14-26-27(22-16-32-33-17-22)18-31-28(26)30-15-21;30-23(29-7-5-24(6-8-29)31-9-10-32-24)17-3-1-16(2-4-17)18-11-20-21(19-13-27-28-14-19)15-26-22(20)25-12-18;30-24(29-18-5-6-21-22(8-18)32-13-31-21)15-3-1-14(2-4-15)16-7-19-20(17-10-27-28-11-17)12-26-23(19)25-9-16;30-24(29-14-20-3-1-2-9-26-20)17-6-4-16(5-7-17)19-11-21-22(18-8-10-25-12-18)15-28-23(21)27-13-19/h1-18H,(H,30,31)(H,32,33)(H,34,35);1-4,11-15H,5-10H2,(H,25,26)(H,27,28);1-12H,13H2,(H,25,26)(H,27,28)(H,29,30);1-9,11-13,15H,10,14H2,(H,27,28)(H,29,30)
• InChIKey: MDZDUAQJHXRMNO-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 379.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1717.88
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 159539211) is N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is O=C(NCc1ccccn1)c1ccc(-c2cnc3[nH]cc(C4=CCN=C4)c3c2)cc1.O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.O=C(c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1)N1CCC2(CC1)OCCO2.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The InChIKey is MDZDUAQJHXRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2.C24H23N5O3.C24H17N5O3.C24H19N5O/c35-29(34-23-10-12-25(13-11-23)36-24-4-2-1-3-5-24)20-8-6-19(7-9-20)21-14-26-27(22-16-32-33-17-22)18-31-28(26)30-15-21;30-23(29-7-5-24(6-8-29)31-9-10-32-24)17-3-1-16(2-4-17)18-11-20-21(19-13-27-28-14-19)15-26-22(20)25-12-18;30-24(29-18-5-6-21-22(8-18)32-13-31-21)15-3-1-14(2-4-15)16-7-19-20(17-10-27-28-11-17)12-26-23(19)25-9-16;30-24(29-14-20-3-1-2-9-26-20)17-6-4-16(5-7-17)19-11-21-22(18-8-10-25-12-18)15-28-23(21)27-13-19/h1-18H,(H,30,31)(H,32,33)(H,34,35);1-4,11-15H,5-10H2,(H,25,26)(H,27,28);1-12H,13H2,(H,25,26)(H,27,28)(H,29,30);1-9,11-13,15H,10,14H2,(H,27,28)(H,29,30).

What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 1717.88 g/mol, XLogP of 18.89, 18 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(4-phenoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(pyridin-2-ylmethyl)-4-[3-(2H-pyrrol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 159539211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).