N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H17F5N6O — CID 135151071

IUPACN-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2c(F)cc(NC(=O)C3(c4ccc(C(F)(F)F)cc4F)CC3)cc2-c2nn[nH]n2)ccn1
InChIInChI=1S/C24H17F5N6O/c1-12-8-13(4-7-30-12)20-16(21-32-34-35-33-21)10-15(11-19(20)26)31-22(36)23(5-6-23)17-3-2-14(9-18(17)25)24(27,28)29/h2-4,7-11H,5-6H2,1H3,(H,31,36)(H,32,33,34,35)
InChIKeyJOSFHZYKQNZMPY-UHFFFAOYSA-N
MW500.43 g/mol
LogP5.20
Rot. Bonds5

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

N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 135151071) has the molecular formula C24H17F5N6O and a molecular weight of 500.43 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID135151071
Molecular FormulaC24H17F5N6O
Molecular Weight500.43 g/mol
Exact Mass500.14
IUPAC NameN-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2c(F)cc(NC(=O)C3(c4ccc(C(F)(F)F)cc4F)CC3)cc2-c2nn[nH]n2)ccn1
InChIInChI=1S/C24H17F5N6O/c1-12-8-13(4-7-30-12)20-16(21-32-34-35-33-21)10-15(11-19(20)26)31-22(36)23(5-6-23)17-3-2-14(9-18(17)25)24(27,28)29/h2-4,7-11H,5-6H2,1H3,(H,31,36)(H,32,33,34,35)
InChIKeyJOSFHZYKQNZMPY-UHFFFAOYSA-N
XLogP5.20
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]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-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 135151071) is N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cc1cc(-c2c(F)cc(NC(=O)C3(c4ccc(C(F)(F)F)cc4F)CC3)cc2-c2nn[nH]n2)ccn1.
What is the InChIKey of N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is JOSFHZYKQNZMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O/c1-12-8-13(4-7-30-12)20-16(21-32-34-35-33-21)10-15(11-19(20)26)31-22(36)23(5-6-23)17-3-2-14(9-18(17)25)24(27,28)29/h2-4,7-11H,5-6H2,1H3,(H,31,36)(H,32,33,34,35).
What are the key properties of N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methyl-4-pyridinyl)-5-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135151071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).