4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide

C27H28F2N6O2 — CID 158131798

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C27H28F2N6O2/c1-35-23(12-16-6-8-21-20(14-30-33-21)24(16)15-3-4-15)32-25(34-35)17-5-7-19(22(11-17)37-2)26(36)31-18-9-10-27(28,29)13-18/h5-8,11,14-15,18H,3-4,9-10,12-13H2,1-2H3,(H,30,33)(H,31,36)
InChIKeyFSWCTIBYEVCCIY-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.75
Rot. Bonds7

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide (PubChem CID 158131798) has the molecular formula C27H28F2N6O2 and a molecular weight of 506.56 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide
PubChem CID158131798
Molecular FormulaC27H28F2N6O2
Molecular Weight506.56 g/mol
Exact Mass506.22
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C27H28F2N6O2/c1-35-23(12-16-6-8-21-20(14-30-33-21)24(16)15-3-4-15)32-25(34-35)17-5-7-19(22(11-17)37-2)26(36)31-18-9-10-27(28,29)13-18/h5-8,11,14-15,18H,3-4,9-10,12-13H2,1-2H3,(H,30,33)(H,31,36)
InChIKeyFSWCTIBYEVCCIY-UHFFFAOYSA-N
XLogP4.75
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-(difluoromethoxy)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163212515
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233812
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(7-methyl-7H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-1H-indazole-5-carboxamide
CID 70652627
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[(E)-1-(2-methyl-1,2,4-triazol-3-yl)but-1-en-3-yn-2-yl]-1H-indazole-5-carboxamide
CID 123528646
2-methoxy-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 136092133
2-methoxy-4-[1-methyl-5-[[1-(oxan-2-yl)indazol-5-yl]amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139351009
4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139351667
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1,1,1-trifluoropropan-2-yl)benzamide
CID 139365578
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365745
2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 139365756
4-[1-ethyl-5-[(4-propan-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365768

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide (CID 158131798) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide is COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCC(F)(F)C1.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide?
The InChIKey is FSWCTIBYEVCCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2/c1-35-23(12-16-6-8-21-20(14-30-33-21)24(16)15-3-4-15)32-25(34-35)17-5-7-19(22(11-17)37-2)26(36)31-18-9-10-27(28,29)13-18/h5-8,11,14-15,18H,3-4,9-10,12-13H2,1-2H3,(H,30,33)(H,31,36).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide has a molecular weight of 506.56 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)-2-methoxybenzamide is sourced from PubChem (CID 158131798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).