[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H14F6N8O — CID 169164940

IUPAC[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)(F)F)cccn2n1
InChIInChI=1S/C19H14F6N8O/c1-31-15(28-17(30-31)19(23,24)25)16(34)32-6-4-10-13(27-8-26-10)14(32)11-7-12-9(18(20,21)22)3-2-5-33(12)29-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyAXBIHIGOEIFYCW-CQSZACIVSA-N
MW484.36 g/mol
LogP3.01
Rot. Bonds2

About [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169164940) has the molecular formula C19H14F6N8O and a molecular weight of 484.36 g/mol. Its IUPAC name is [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169164940
Molecular FormulaC19H14F6N8O
Molecular Weight484.36 g/mol
Exact Mass484.12
IUPAC Name[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C(F)(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)(F)F)cccn2n1
InChIInChI=1S/C19H14F6N8O/c1-31-15(28-17(30-31)19(23,24)25)16(34)32-6-4-10-13(27-8-26-10)14(32)11-7-12-9(18(20,21)22)3-2-5-33(12)29-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyAXBIHIGOEIFYCW-CQSZACIVSA-N
XLogP3.01
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170520322
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166354
[2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165428
(5-methyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332974
(5-chloro-2-methyl-1,2,4-triazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332439
1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333239
(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166408
[4-(difluoromethyl)-2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332883
[4-(difluoromethyl)-2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164987
(6-methylpyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165858
[2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-5-yl]-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332692
[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333015

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169164940) is [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1nc(C(F)(F)F)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)(F)F)cccn2n1.
What is the InChIKey of [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is AXBIHIGOEIFYCW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H14F6N8O/c1-31-15(28-17(30-31)19(23,24)25)16(34)32-6-4-10-13(27-8-26-10)14(32)11-7-12-9(18(20,21)22)3-2-5-33(12)29-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 484.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169164940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).