[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

C101H109ClN22O8 — CID 167672967

About [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (PubChem CID 167672967) has the molecular formula C101H109ClN22O8 and a molecular weight of 1794.58 g/mol. Its IUPAC name is [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
• PubChem CID: 167672967
• Molecular Formula: C101H109ClN22O8
• Molecular Weight: 1794.58 g/mol
• Exact Mass: 1792.85
• IUPAC Name: [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CC1CCN(C(=O)c2ccc3c(cnn3-c3cncc(Cl)c3)c2)CC1.CN(C)C(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.NC(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
• InChI: InChI=1S/C22H25N3O2.C21H23N5O2.C20H23N5O.C19H19ClN4O.C19H19N5O2/c1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-24(2)20(27)17-11-18(14-22-12-17)26-9-6-15-10-16(13-23-19(15)26)21(28)25-7-4-3-5-8-25;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-13-4-6-23(7-5-13)19(25)14-2-3-18-15(8-14)10-22-24(18)17-9-16(20)11-21-12-17;20-17(25)14-9-16(12-21-10-14)24-7-4-13-8-15(11-22-18(13)24)19(26)23-5-2-1-3-6-23/h6-10,13-15,27H,3-5,11-12H2,1-2H3;6,9-14H,3-5,7-8H2,1-2H3;6-8,11-14H,3-5,9-10H2,1-2H3;2-3,8-13H,4-7H2,1H3;4,7-12H,1-3,5-6H2,(H2,20,25)
• InChIKey: UJYLXNLQLHAQAH-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 329.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.58
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?

The IUPAC name of [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (CID 167672967) is [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is CC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CC1CCN(C(=O)c2ccc3c(cnn3-c3cncc(Cl)c3)c2)CC1.CN(C)C(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.NC(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.

What is the InChIKey of [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?

The InChIKey is UJYLXNLQLHAQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C21H23N5O2.C20H23N5O.C19H19ClN4O.C19H19N5O2/c1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-24(2)20(27)17-11-18(14-22-12-17)26-9-6-15-10-16(13-23-19(15)26)21(28)25-7-4-3-5-8-25;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-13-4-6-23(7-5-13)19(25)14-2-3-18-15(8-14)10-22-24(18)17-9-16(20)11-21-12-17;20-17(25)14-9-16(12-21-10-14)24-7-4-13-8-15(11-22-18(13)24)19(26)23-5-2-1-3-6-23/h6-10,13-15,27H,3-5,11-12H2,1-2H3;6,9-14H,3-5,7-8H2,1-2H3;6-8,11-14H,3-5,9-10H2,1-2H3;2-3,8-13H,4-7H2,1H3;4,7-12H,1-3,5-6H2,(H2,20,25).

What are the key properties of [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?

[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide has a molecular weight of 1794.58 g/mol, XLogP of 15.83, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167672967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).