N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C30H25ClF3N7O4 — CID 155101738

IUPACN-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(Cc1cc(-c2cc(C(F)(F)F)c(=O)n(C)c2)ccc1Cl)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C30H25ClF3N7O4/c1-16-22(14-45-39-16)27(42)37-25(28(43)36-21-7-4-17(5-8-21)26-38-35-15-41(26)3)12-19-10-18(6-9-24(19)31)20-11-23(30(32,33)34)29(44)40(2)13-20/h4-11,13-15,25H,12H2,1-3H3,(H,36,43)(H,37,42)
InChIKeyHGROXOKKVZRBKJ-UHFFFAOYSA-N
MW640.02 g/mol
LogP4.80
Rot. Bonds8

About N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 155101738) has the molecular formula C30H25ClF3N7O4 and a molecular weight of 640.02 g/mol. Its IUPAC name is N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID155101738
Molecular FormulaC30H25ClF3N7O4
Molecular Weight640.02 g/mol
Exact Mass639.16
IUPAC NameN-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(Cc1cc(-c2cc(C(F)(F)F)c(=O)n(C)c2)ccc1Cl)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C30H25ClF3N7O4/c1-16-22(14-45-39-16)27(42)37-25(28(43)36-21-7-4-17(5-8-21)26-38-35-15-41(26)3)12-19-10-18(6-9-24(19)31)20-11-23(30(32,33)34)29(44)40(2)13-20/h4-11,13-15,25H,12H2,1-3H3,(H,36,43)(H,37,42)
InChIKeyHGROXOKKVZRBKJ-UHFFFAOYSA-N
XLogP4.80
TPSA136.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.02
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 155101738) is N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NC(Cc1cc(-c2cc(C(F)(F)F)c(=O)n(C)c2)ccc1Cl)C(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HGROXOKKVZRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF3N7O4/c1-16-22(14-45-39-16)27(42)37-25(28(43)36-21-7-4-17(5-8-21)26-38-35-15-41(26)3)12-19-10-18(6-9-24(19)31)20-11-23(30(32,33)34)29(44)40(2)13-20/h4-11,13-15,25H,12H2,1-3H3,(H,36,43)(H,37,42).
What are the key properties of N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 640.02 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-5-[1-methyl-6-oxo-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155101738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).