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

C26H27F3N6O3 — CID 158216153

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H27F3N6O3/c1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29/h5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyGCRCBBCFUKMZJH-UHFFFAOYSA-N
MW528.54 g/mol
LogP4.24
Rot. Bonds10

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

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 158216153) has the molecular formula C26H27F3N6O3 and a molecular weight of 528.54 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID158216153
Molecular FormulaC26H27F3N6O3
Molecular Weight528.54 g/mol
Exact Mass528.21
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H27F3N6O3/c1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29/h5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyGCRCBBCFUKMZJH-UHFFFAOYSA-N
XLogP4.24
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365788
4-[5-[(6-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365829
4-[5-[(6-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365833

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 158216153) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GCRCBBCFUKMZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3/c1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29/h5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 528.54 g/mol, XLogP of 4.24, 10 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-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 158216153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).