1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

C23H26N6O — CID 176732937

IUPAC1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESCc1nn(C)c2ccc(C(=O)Nc3cc4[nH]c([C@H]5CCCCN5C)cc4cn3)cc12
InChIInChI=1S/C23H26N6O/c1-14-17-10-15(7-8-20(17)29(3)27-14)23(30)26-22-12-18-16(13-24-22)11-19(25-18)21-6-4-5-9-28(21)2/h7-8,10-13,21,25H,4-6,9H2,1-3H3,(H,24,26,30)/t21-/m1/s1
InChIKeyOLAKWYJZDRLRLA-OAQYLSRUSA-N
MW402.50 g/mol
LogP4.17
Rot. Bonds3

About 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (PubChem CID 176732937) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
PubChem CID176732937
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESCc1nn(C)c2ccc(C(=O)Nc3cc4[nH]c([C@H]5CCCCN5C)cc4cn3)cc12
InChIInChI=1S/C23H26N6O/c1-14-17-10-15(7-8-20(17)29(3)27-14)23(30)26-22-12-18-16(13-24-22)11-19(25-18)21-6-4-5-9-28(21)2/h7-8,10-13,21,25H,4-6,9H2,1-3H3,(H,24,26,30)/t21-/m1/s1
InChIKeyOLAKWYJZDRLRLA-OAQYLSRUSA-N
XLogP4.17
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2-benzoxazole-6-carboxamide
CID 176732891
1,3-dimethyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-benzotriazole-5-carboxamide
CID 176732936
6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
CID 178055599
(2,2,2-trifluoroacetyl) 5-[9-[3-methyl-6-[[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]carbamoyl]indazol-1-yl]non-1-ynyl]pyridine-2-carboxylate
CID 178181227
ethane;1-[7-[2-fluoro-3-[4-(oxaldehydoylamino)-4-oxobutyl]phenyl]hept-6-ynyl]-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 178055455
3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 156503329
1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide
CID 176732932
4-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]piperidin-4-yl]benzamide
CID 178055884
N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide
CID 156523274
4-[3-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]piperidin-4-yl]propyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 178055933
2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
CID 78878202
5-fluoro-3-methyl-1-[9-[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-4-yl]non-8-ynyl]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 178055478

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (CID 176732937) is 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is Cc1nn(C)c2ccc(C(=O)Nc3cc4[nH]c([C@H]5CCCCN5C)cc4cn3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The InChIKey is OLAKWYJZDRLRLA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14-17-10-15(7-8-20(17)29(3)27-14)23(30)26-22-12-18-16(13-24-22)11-19(25-18)21-6-4-5-9-28(21)2/h7-8,10-13,21,25H,4-6,9H2,1-3H3,(H,24,26,30)/t21-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is sourced from PubChem (CID 176732937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).