[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C19H19F4N7O — CID 172767119

IUPAC[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)n1ccc(-n2nnc3c2C[C@H](C)N(C(=O)c2nccc(C(F)(F)F)c2F)C3)n1
InChIInChI=1S/C19H19F4N7O/c1-10(2)29-7-5-15(26-29)30-14-8-11(3)28(9-13(14)25-27-30)18(31)17-16(20)12(4-6-24-17)19(21,22)23/h4-7,10-11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyMLRNXNTUMDOURV-NSHDSACASA-N
MW437.40 g/mol
LogP3.18
Rot. Bonds3

About [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 172767119) has the molecular formula C19H19F4N7O and a molecular weight of 437.40 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID172767119
Molecular FormulaC19H19F4N7O
Molecular Weight437.40 g/mol
Exact Mass437.16
IUPAC Name[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)n1ccc(-n2nnc3c2C[C@H](C)N(C(=O)c2nccc(C(F)(F)F)c2F)C3)n1
InChIInChI=1S/C19H19F4N7O/c1-10(2)29-7-5-15(26-29)30-14-8-11(3)28(9-13(14)25-27-30)18(31)17-16(20)12(4-6-24-17)19(21,22)23/h4-7,10-11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyMLRNXNTUMDOURV-NSHDSACASA-N
XLogP3.18
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 172767119) is [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC(C)n1ccc(-n2nnc3c2C[C@H](C)N(C(=O)c2nccc(C(F)(F)F)c2F)C3)n1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is MLRNXNTUMDOURV-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F4N7O/c1-10(2)29-7-5-15(26-29)30-14-8-11(3)28(9-13(14)25-27-30)18(31)17-16(20)12(4-6-24-17)19(21,22)23/h4-7,10-11H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 437.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-[(6S)-6-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 172767119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).