3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C16H16F3N7O2 — CID 146381271

IUPAC3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1
InChIInChI=1S/C16H16F3N7O2/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3/h4-9H,1-3H3,(H,21,22,27)
InChIKeyVOAVBNDXAXMDDN-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.46
Rot. Bonds5

About 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381271) has the molecular formula C16H16F3N7O2 and a molecular weight of 395.35 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381271
Molecular FormulaC16H16F3N7O2
Molecular Weight395.35 g/mol
Exact Mass395.13
IUPAC Name3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1
InChIInChI=1S/C16H16F3N7O2/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3/h4-9H,1-3H3,(H,21,22,27)
InChIKeyVOAVBNDXAXMDDN-UHFFFAOYSA-N
XLogP2.46
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-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 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381271) is 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is VOAVBNDXAXMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3/h4-9H,1-3H3,(H,21,22,27).
What are the key properties of 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).