N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C30H40N6O2 — CID 170051651

IUPACN-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(N4CCC5(CCNCC5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C30H40N6O2/c1-21-4-3-5-25(32-21)29(37)33-27-18-22-20-36(34-26(22)19-28(27)38-2)24-8-6-23(7-9-24)35-16-12-30(13-17-35)10-14-31-15-11-30/h3-5,18-20,23-24,31H,6-17H2,1-2H3,(H,33,37)
InChIKeyTVJUSWNWNBEGCC-UHFFFAOYSA-N
MW516.69 g/mol
LogP4.95
Rot. Bonds5

About N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170051651) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID170051651
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC NameN-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(N4CCC5(CCNCC5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C30H40N6O2/c1-21-4-3-5-25(32-21)29(37)33-27-18-22-20-36(34-26(22)19-28(27)38-2)24-8-6-23(7-9-24)35-16-12-30(13-17-35)10-14-31-15-11-30/h3-5,18-20,23-24,31H,6-17H2,1-2H3,(H,33,37)
InChIKeyTVJUSWNWNBEGCC-UHFFFAOYSA-N
XLogP4.95
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 175253804
N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051583
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548
9-[[4-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]-methylamino]-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 175693102
tert-butyl 4-[3-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 170051499
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438138
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170051651) is N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCC(N4CCC5(CCNCC5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is TVJUSWNWNBEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-21-4-3-5-25(32-21)29(37)33-27-18-22-20-36(34-26(22)19-28(27)38-2)24-8-6-23(7-9-24)35-16-12-30(13-17-35)10-14-31-15-11-30/h3-5,18-20,23-24,31H,6-17H2,1-2H3,(H,33,37).
What are the key properties of N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170051651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).