N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide

C30H42N6O2 — CID 170051583

IUPACN-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN(C)CCC4CCNCC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C30H42N6O2/c1-21-5-4-6-26(32-21)30(37)33-28-17-24-20-36(34-27(24)18-29(28)38-3)25-9-7-23(8-10-25)19-35(2)16-13-22-11-14-31-15-12-22/h4-6,17-18,20,22-23,25,31H,7-16,19H2,1-3H3,(H,33,37)
InChIKeyWMHBECKSAHRVHP-UHFFFAOYSA-N
MW518.71 g/mol
LogP5.05
Rot. Bonds9

About N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170051583) has the molecular formula C30H42N6O2 and a molecular weight of 518.71 g/mol. Its IUPAC name is N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID170051583
Molecular FormulaC30H42N6O2
Molecular Weight518.71 g/mol
Exact Mass518.34
IUPAC NameN-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN(C)CCC4CCNCC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C30H42N6O2/c1-21-5-4-6-26(32-21)30(37)33-28-17-24-20-36(34-27(24)18-29(28)38-3)25-9-7-23(8-10-25)19-35(2)16-13-22-11-14-31-15-12-22/h4-6,17-18,20,22-23,25,31H,7-16,19H2,1-3H3,(H,33,37)
InChIKeyWMHBECKSAHRVHP-UHFFFAOYSA-N
XLogP5.05
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051651
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 175253804
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438184
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
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
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
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170051583) is N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCC(CN(C)CCC4CCNCC4)CC3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is WMHBECKSAHRVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O2/c1-21-5-4-6-26(32-21)30(37)33-28-17-24-20-36(34-27(24)18-29(28)38-3)25-9-7-23(8-10-25)19-35(2)16-13-22-11-14-31-15-12-22/h4-6,17-18,20,22-23,25,31H,7-16,19H2,1-3H3,(H,33,37).
What are the key properties of N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 518.71 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170051583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).