[1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

C98H98N18O8 — CID 167670415

About [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

[1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (PubChem CID 167670415) has the molecular formula C98H98N18O8 and a molecular weight of 1655.98 g/mol. Its IUPAC name is [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

Molecular Properties

• Compound Name: [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
• PubChem CID: 167670415
• Molecular Formula: C98H98N18O8
• Molecular Weight: 1655.98 g/mol
• Exact Mass: 1654.78
• IUPAC Name: [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
• SMILES: CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(N)=O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C(N)=O)c3)c2)CC1.COc1ccc(Cn2cc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc3n2)cc1.COc1ccc(Cn2ncc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc32)cc1
• InChI: InChI=1S/2C28H27N5O2.2C21H22N4O2/c1-35-25-8-5-20(6-9-25)19-33-26-10-7-24(16-22(26)18-30-33)32-14-11-21-15-23(17-29-27(21)32)28(34)31-12-3-2-4-13-31;1-35-25-8-5-20(6-9-25)18-32-19-23-16-24(7-10-26(23)30-32)33-14-11-21-15-22(17-29-27(21)33)28(34)31-12-3-2-4-13-31;1-14-6-9-24(10-7-14)21(27)17-12-16-8-11-25(20(16)23-13-17)18-4-2-15(3-5-18)19(22)26;1-14-5-8-24(9-6-14)21(27)17-11-16-7-10-25(20(16)23-13-17)18-4-2-3-15(12-18)19(22)26/h5-11,14-18H,2-4,12-13,19H2,1H3;5-11,14-17,19H,2-4,12-13,18H2,1H3;2-5,8,11-14H,6-7,9-10H2,1H3,(H2,22,26);2-4,7,10-14H,5-6,8-9H2,1H3,(H2,22,26)
• InChIKey: UADBCBFYRVNJCY-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 292.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.98
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The IUPAC name of [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (CID 167670415) is [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

What is the SMILES notation for [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The canonical SMILES for [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is CC1CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(N)=O)cc3)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccc(C(N)=O)c3)c2)CC1.COc1ccc(Cn2cc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc3n2)cc1.COc1ccc(Cn2ncc3cc(-n4ccc5cc(C(=O)N6CCCCC6)cnc54)ccc32)cc1.

What is the InChIKey of [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

The InChIKey is UADBCBFYRVNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O2.2C21H22N4O2/c1-35-25-8-5-20(6-9-25)19-33-26-10-7-24(16-22(26)18-30-33)32-14-11-21-15-23(17-29-27(21)32)28(34)31-12-3-2-4-13-31;1-35-25-8-5-20(6-9-25)18-32-19-23-16-24(7-10-26(23)30-32)33-14-11-21-15-22(17-29-27(21)33)28(34)31-12-3-2-4-13-31;1-14-6-9-24(10-7-14)21(27)17-12-16-8-11-25(20(16)23-13-17)18-4-2-15(3-5-18)19(22)26;1-14-5-8-24(9-6-14)21(27)17-11-16-7-10-25(20(16)23-13-17)18-4-2-3-15(12-18)19(22)26/h5-11,14-18H,2-4,12-13,19H2,1H3;5-11,14-17,19H,2-4,12-13,18H2,1H3;2-5,8,11-14H,6-7,9-10H2,1H3,(H2,22,26);2-4,7,10-14H,5-6,8-9H2,1H3,(H2,22,26).

What are the key properties of [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?

[1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide has a molecular weight of 1655.98 g/mol, XLogP of 16.11, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 167670415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).