1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C25H19ClF6N10O2 — CID 46243978

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC(C)CC(F)(F)F)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H19ClF6N10O2/c1-12-6-14(10-33)7-16(21(43)35-13(2)9-24(27,28)29)19(12)36-22(44)18-8-15(11-41-39-23(37-40-41)25(30,31)32)38-42(18)20-17(26)4-3-5-34-20/h3-8,13H,9,11H2,1-2H3,(H,35,43)(H,36,44)
InChIKeyRJTXUOGPAIHNGI-UHFFFAOYSA-N
MW640.94 g/mol
LogP4.48
Rot. Bonds8

About 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 46243978) has the molecular formula C25H19ClF6N10O2 and a molecular weight of 640.94 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID46243978
Molecular FormulaC25H19ClF6N10O2
Molecular Weight640.94 g/mol
Exact Mass640.13
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(C#N)cc(C(=O)NC(C)CC(F)(F)F)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H19ClF6N10O2/c1-12-6-14(10-33)7-16(21(43)35-13(2)9-24(27,28)29)19(12)36-22(44)18-8-15(11-41-39-23(37-40-41)25(30,31)32)38-42(18)20-17(26)4-3-5-34-20/h3-8,13H,9,11H2,1-2H3,(H,35,43)(H,36,44)
InChIKeyRJTXUOGPAIHNGI-UHFFFAOYSA-N
XLogP4.48
TPSA156.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.94
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-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 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 46243978) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(=O)NC(C)CC(F)(F)F)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is RJTXUOGPAIHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF6N10O2/c1-12-6-14(10-33)7-16(21(43)35-13(2)9-24(27,28)29)19(12)36-22(44)18-8-15(11-41-39-23(37-40-41)25(30,31)32)38-42(18)20-17(26)4-3-5-34-20/h3-8,13H,9,11H2,1-2H3,(H,35,43)(H,36,44).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 640.94 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(4,4,4-trifluorobutan-2-ylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46243978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).