1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide

C28H27F3N4O3 — CID 54597151

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C28H27F3N4O3/c1-16-10-17(2)34-27(37)23(16)14-32-26(36)22-12-19(18-6-5-9-21(11-18)38-28(29,30)31)13-25-24(22)15-33-35(25)20-7-3-4-8-20/h5-6,9-13,15,20H,3-4,7-8,14H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyIROVPCVKFKQSBC-UHFFFAOYSA-N
MW524.54 g/mol
LogP5.95
Rot. Bonds6

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide (PubChem CID 54597151) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
PubChem CID54597151
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C28H27F3N4O3/c1-16-10-17(2)34-27(37)23(16)14-32-26(36)22-12-19(18-6-5-9-21(11-18)38-28(29,30)31)13-25-24(22)15-33-35(25)20-7-3-4-8-20/h5-6,9-13,15,20H,3-4,7-8,14H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyIROVPCVKFKQSBC-UHFFFAOYSA-N
XLogP5.95
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 148760724
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 54597298
1-cycloheptyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155547766
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134804940
6-[4-(4-carbamoyl-1H-benzimidazol-2-yl)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethylindazole-4-carboxamide
CID 170557607
3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
CID 129083251
5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide
CID 146352020
1-(cyclohexylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)indole-4-carboxamide
CID 164854255
4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-yl-6-[3-[1-(sulfinoamino)ethyl]phenyl]indole
CID 118481862
3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 139542709
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38094875

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide (CID 54597151) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)cc3c2cnn3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide?
The InChIKey is IROVPCVKFKQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c1-16-10-17(2)34-27(37)23(16)14-32-26(36)22-12-19(18-6-5-9-21(11-18)38-28(29,30)31)13-25-24(22)15-33-35(25)20-7-3-4-8-20/h5-6,9-13,15,20H,3-4,7-8,14H2,1-2H3,(H,32,36)(H,34,37).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide has a molecular weight of 524.54 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide is sourced from PubChem (CID 54597151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).