N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C24H18Cl2F6N8O2 — CID 142564212

IUPACN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)C1CC1C(F)(F)F
InChIInChI=1S/C24H18Cl2F6N8O2/c25-13-5-3-12(4-6-13)19-37-39(10-18-34-11-40(36-18)20-16(26)2-1-7-33-20)22(42)38(19)9-17(24(30,31)32)35-21(41)14-8-15(14)23(27,28)29/h1-7,11,14-15,17H,8-10H2,(H,35,41)
InChIKeyRUOURPLXVUWWKS-UHFFFAOYSA-N
MW635.36 g/mol
LogP4.29
Rot. Bonds8

About N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 142564212) has the molecular formula C24H18Cl2F6N8O2 and a molecular weight of 635.36 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID142564212
Molecular FormulaC24H18Cl2F6N8O2
Molecular Weight635.36 g/mol
Exact Mass634.08
IUPAC NameN-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)C1CC1C(F)(F)F
InChIInChI=1S/C24H18Cl2F6N8O2/c25-13-5-3-12(4-6-13)19-37-39(10-18-34-11-40(36-18)20-16(26)2-1-7-33-20)22(42)38(19)9-17(24(30,31)32)35-21(41)14-8-15(14)23(27,28)29/h1-7,11,14-15,17H,8-10H2,(H,35,41)
InChIKeyRUOURPLXVUWWKS-UHFFFAOYSA-N
XLogP4.29
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

CID 10165573
CID 10165573
US11149023, Example 63
CID 154621891
US11149023, Example 34
CID 162678028
US11149023, Example 39
CID 162678031
US11149023, Example 61
CID 142564202
US11149023, Example 19
CID 142564203
US11149023, Example 27
CID 142564204
US11149023, Example 29
CID 142564207
US11149023, Example 69
CID 142564208
US11149023, Example 14
CID 142564209
US11149023, Example 7
CID 142564210
US11149023, Example 26
CID 142564213

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 142564212) is N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)C1CC1C(F)(F)F.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is RUOURPLXVUWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F6N8O2/c25-13-5-3-12(4-6-13)19-37-39(10-18-34-11-40(36-18)20-16(26)2-1-7-33-20)22(42)38(19)9-17(24(30,31)32)35-21(41)14-8-15(14)23(27,28)29/h1-7,11,14-15,17H,8-10H2,(H,35,41).
What are the key properties of N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 635.36 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142564212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).