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

C24H17F5N6O — CID 135151097

IUPACN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)F)nc2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H17F5N6O/c25-20(26)19-8-1-13(12-30-19)17-7-6-16(11-18(17)21-32-34-35-33-21)31-22(36)23(9-10-23)14-2-4-15(5-3-14)24(27,28)29/h1-8,11-12,20H,9-10H2,(H,31,36)(H,32,33,34,35)
InChIKeyOAUDEKHQORPLCE-UHFFFAOYSA-N
MW500.43 g/mol
LogP5.56
Rot. Bonds6

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

N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 135151097) has the molecular formula C24H17F5N6O and a molecular weight of 500.43 g/mol. Its IUPAC name is N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID135151097
Molecular FormulaC24H17F5N6O
Molecular Weight500.43 g/mol
Exact Mass500.14
IUPAC NameN-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)F)nc2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H17F5N6O/c25-20(26)19-8-1-13(12-30-19)17-7-6-16(11-18(17)21-32-34-35-33-21)31-22(36)23(9-10-23)14-2-4-15(5-3-14)24(27,28)29/h1-8,11-12,20H,9-10H2,(H,31,36)(H,32,33,34,35)
InChIKeyOAUDEKHQORPLCE-UHFFFAOYSA-N
XLogP5.56
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 135151097) is N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccc(C(F)F)nc2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OAUDEKHQORPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N6O/c25-20(26)19-8-1-13(12-30-19)17-7-6-16(11-18(17)21-32-34-35-33-21)31-22(36)23(9-10-23)14-2-4-15(5-3-14)24(27,28)29/h1-8,11-12,20H,9-10H2,(H,31,36)(H,32,33,34,35).
What are the key properties of N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-[6-(difluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 5.56, 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-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135151097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).