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

C17H18F3N7O2 — CID 146381346

IUPAC1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1
InChIInChI=1S/C17H18F3N7O2/c1-4-26-8-11(16(25-26)29-3)15(28)23-13-7-5-6-12(22-13)14-24-21-9-27(14)10(2)17(18,19)20/h5-10H,4H2,1-3H3,(H,22,23,28)/t10-/m0/s1
InChIKeyTVQTVQBRVPPOQY-JTQLQIEISA-N
MW409.37 g/mol
LogP2.94
Rot. Bonds6

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

1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381346) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381346
Molecular FormulaC17H18F3N7O2
Molecular Weight409.37 g/mol
Exact Mass409.15
IUPAC Name1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1
InChIInChI=1S/C17H18F3N7O2/c1-4-26-8-11(16(25-26)29-3)15(28)23-13-7-5-6-12(22-13)14-24-21-9-27(14)10(2)17(18,19)20/h5-10H,4H2,1-3H3,(H,22,23,28)/t10-/m0/s1
InChIKeyTVQTVQBRVPPOQY-JTQLQIEISA-N
XLogP2.94
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-3-methoxy-N-[6-[4-[(2S)-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 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381346) is 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1.
What is the InChIKey of 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is TVQTVQBRVPPOQY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-4-26-8-11(16(25-26)29-3)15(28)23-13-7-5-6-12(22-13)14-24-21-9-27(14)10(2)17(18,19)20/h5-10H,4H2,1-3H3,(H,22,23,28)/t10-/m0/s1.
What are the key properties of 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).