6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

C29H32N6O4 — CID 166041334

IUPAC6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4N4CCC(CO)CC4)c3)ccc12
InChIInChI=1S/C29H32N6O4/c1-30-28(38)26-22-8-7-19(14-24(22)33-34-26)21-13-23(29(39-2)32-16-21)27(37)31-15-20-5-3-4-6-25(20)35-11-9-18(17-36)10-12-35/h3-8,13-14,16,18,36H,9-12,15,17H2,1-2H3,(H,30,38)(H,31,37)(H,33,34)
InChIKeyCGHJXZQZEOQWCZ-UHFFFAOYSA-N
MW528.61 g/mol
LogP3.13
Rot. Bonds8

About 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041334) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041334
Molecular FormulaC29H32N6O4
Molecular Weight528.61 g/mol
Exact Mass528.25
IUPAC Name6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4N4CCC(CO)CC4)c3)ccc12
InChIInChI=1S/C29H32N6O4/c1-30-28(38)26-22-8-7-19(14-24(22)33-34-26)21-13-23(29(39-2)32-16-21)27(37)31-15-20-5-3-4-6-25(20)35-11-9-18(17-36)10-12-35/h3-8,13-14,16,18,36H,9-12,15,17H2,1-2H3,(H,30,38)(H,31,37)(H,33,34)
InChIKeyCGHJXZQZEOQWCZ-UHFFFAOYSA-N
XLogP3.13
TPSA132.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041473
[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 146443634
6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 166041441
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
tert-butyl 3-[[2-(deuteriomethoxy)-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]-2,2-dimethylpropanoate
CID 166041477
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041450
N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041463
N-(cyclopropylmethyl)-6-[6-(deuteriomethoxy)-5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041322
N-methyl-6-[6-(trideuteriomethoxy)-5-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664699
N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077939

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (CID 166041334) is 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCc4ccccc4N4CCC(CO)CC4)c3)ccc12.
What is the InChIKey of 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is CGHJXZQZEOQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4/c1-30-28(38)26-22-8-7-19(14-24(22)33-34-26)21-13-23(29(39-2)32-16-21)27(37)31-15-20-5-3-4-6-25(20)35-11-9-18(17-36)10-12-35/h3-8,13-14,16,18,36H,9-12,15,17H2,1-2H3,(H,30,38)(H,31,37)(H,33,34).
What are the key properties of 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 3.13, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).