N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide

C28H29ClN4O2 — CID 59292115

IUPACN-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(CC3CCCCO3)c3ccccn3)nc2c1
InChIInChI=1S/C28H29ClN4O2/c29-24-7-5-6-20(14-24)17-31-28(34)21-10-11-22-18-33(32-27(22)16-21)19-23(26-9-1-3-12-30-26)15-25-8-2-4-13-35-25/h1,3,5-7,9-12,14,16,18,23,25H,2,4,8,13,15,17,19H2,(H,31,34)
InChIKeyWTRHLXDEKNRHJQ-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.76
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide

N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide (PubChem CID 59292115) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
PubChem CID59292115
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(CC3CCCCO3)c3ccccn3)nc2c1
InChIInChI=1S/C28H29ClN4O2/c29-24-7-5-6-20(14-24)17-31-28(34)21-10-11-22-18-33(32-27(22)16-21)19-23(26-9-1-3-12-30-26)15-25-8-2-4-13-35-25/h1,3,5-7,9-12,14,16,18,23,25H,2,4,8,13,15,17,19H2,(H,31,34)
InChIKeyWTRHLXDEKNRHJQ-UHFFFAOYSA-N
XLogP5.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292101
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CID 59292094
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
CID 59292100
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
CID 59292087
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
2-[[[2-(3-chlorophenyl)acetyl]amino]methyl]-1-(oxolan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 42817367
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide
CID 22333599
N-[(4-chlorophenyl)methyl]-2-[[2-[(3-chlorophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-3-(oxan-2-yl)propanamide
CID 20814794
3-[[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 111358759
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide (CID 59292115) is N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(CC3CCCCO3)c3ccccn3)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide?
The InChIKey is WTRHLXDEKNRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c29-24-7-5-6-20(14-24)17-31-28(34)21-10-11-22-18-33(32-27(22)16-21)19-23(26-9-1-3-12-30-26)15-25-8-2-4-13-35-25/h1,3,5-7,9-12,14,16,18,23,25H,2,4,8,13,15,17,19H2,(H,31,34).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide is sourced from PubChem (CID 59292115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).