N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide

C21H21FN4O2 — CID 171771928

IUPACN-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1
InChIInChI=1S/C21H21FN4O2/c22-15-8-9-17-18(11-15)25-26(12-13-4-1-2-5-13)19(17)21(28)24-16-7-3-6-14(10-16)20(23)27/h3,6-11,13H,1-2,4-5,12H2,(H2,23,27)(H,24,28)
InChIKeyKUTPFHNNSFPMPZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.72
Rot. Bonds5

About N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide

N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide (PubChem CID 171771928) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
PubChem CID171771928
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1
InChIInChI=1S/C21H21FN4O2/c22-15-8-9-17-18(11-15)25-26(12-13-4-1-2-5-13)19(17)21(28)24-16-7-3-6-14(10-16)20(23)27/h3,6-11,13H,1-2,4-5,12H2,(H2,23,27)(H,24,28)
InChIKeyKUTPFHNNSFPMPZ-UHFFFAOYSA-N
XLogP3.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide
CID 171772068
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334327
N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 171772052
7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771986
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 119740426
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
N-(3-aminosulfanylphenyl)-1-[(4,4-difluorocyclohexyl)methyl]-4-(difluoromethyl)-3-methylpyrazole-5-carboxamide
CID 166528879
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]benzamide
CID 42907943
ethyl 3-[[1-[(4-fluorophenyl)methyl]benzotriazole-5-carbonyl]amino]benzoate
CID 53111407

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide (CID 171771928) is N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide is NC(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide?
The InChIKey is KUTPFHNNSFPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-8-9-17-18(11-15)25-26(12-13-4-1-2-5-13)19(17)21(28)24-16-7-3-6-14(10-16)20(23)27/h3,6-11,13H,1-2,4-5,12H2,(H2,23,27)(H,24,28).
What are the key properties of N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide?
N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide is sourced from PubChem (CID 171771928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).