4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

C28H30F3N7O2 — CID 158880353

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C28H30F3N7O2/c1-37-24(12-17-6-8-22-21(13-32-35-22)25(17)16-3-4-16)34-26(36-37)18-5-7-20(23(11-18)40-2)27(39)33-19-9-10-38(14-19)15-28(29,30)31/h5-8,11,13,16,19H,3-4,9-10,12,14-15H2,1-2H3,(H,32,35)(H,33,39)
InChIKeyJCYMQFMQVQNRGC-UHFFFAOYSA-N
MW553.59 g/mol
LogP4.20
Rot. Bonds8

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (PubChem CID 158880353) has the molecular formula C28H30F3N7O2 and a molecular weight of 553.59 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
PubChem CID158880353
Molecular FormulaC28H30F3N7O2
Molecular Weight553.59 g/mol
Exact Mass553.24
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C28H30F3N7O2/c1-37-24(12-17-6-8-22-21(13-32-35-22)25(17)16-3-4-16)34-26(36-37)18-5-7-20(23(11-18)40-2)27(39)33-19-9-10-38(14-19)15-28(29,30)31/h5-8,11,13,16,19H,3-4,9-10,12,14-15H2,1-2H3,(H,32,35)(H,33,39)
InChIKeyJCYMQFMQVQNRGC-UHFFFAOYSA-N
XLogP4.20
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide 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

[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 73776850
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117871267
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117872335
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117871702
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazole-5-carboxamide
CID 56591245
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-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-indazole-5-carboxamide
CID 70652898
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[2-[3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117871268
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[2-[3-[2-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117871457
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]methanone
CID 117872338
3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide
CID 123338933

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]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (CID 158880353) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)ccc1C(=O)NC1CCN(CC(F)(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]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is JCYMQFMQVQNRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O2/c1-37-24(12-17-6-8-22-21(13-32-35-22)25(17)16-3-4-16)34-26(36-37)18-5-7-20(23(11-18)40-2)27(39)33-19-9-10-38(14-19)15-28(29,30)31/h5-8,11,13,16,19H,3-4,9-10,12,14-15H2,1-2H3,(H,32,35)(H,33,39).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 553.59 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 158880353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).