N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide

C24H19F3N6O — CID 135151132

IUPACN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(-c4ccc(C(F)F)nc4)c(-c4nn[nH]n4)c3)CC2)c(F)c1
InChIInChI=1S/C24H19F3N6O/c1-13-2-6-18(19(25)10-13)24(8-9-24)23(34)29-15-4-5-16(17(11-15)22-30-32-33-31-22)14-3-7-20(21(26)27)28-12-14/h2-7,10-12,21H,8-9H2,1H3,(H,29,34)(H,30,31,32,33)
InChIKeyKUTHRNUYCKMVLS-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide

N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 135151132) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID135151132
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC NameN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(-c4ccc(C(F)F)nc4)c(-c4nn[nH]n4)c3)CC2)c(F)c1
InChIInChI=1S/C24H19F3N6O/c1-13-2-6-18(19(25)10-13)24(8-9-24)23(34)29-15-4-5-16(17(11-15)22-30-32-33-31-22)14-3-7-20(21(26)27)28-12-14/h2-7,10-12,21H,8-9H2,1H3,(H,29,34)(H,30,31,32,33)
InChIKeyKUTHRNUYCKMVLS-UHFFFAOYSA-N
XLogP4.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide (CID 135151132) is N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(-c4ccc(C(F)F)nc4)c(-c4nn[nH]n4)c3)CC2)c(F)c1.
What is the InChIKey of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is KUTHRNUYCKMVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-13-2-6-18(19(25)10-13)24(8-9-24)23(34)29-15-4-5-16(17(11-15)22-30-32-33-31-22)14-3-7-20(21(26)27)28-12-14/h2-7,10-12,21H,8-9H2,1H3,(H,29,34)(H,30,31,32,33).
What are the key properties of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).