[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

C22H17F3N8O2 — CID 169166354

IUPAC[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
SMILESCn1ccc(-c2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)n1
InChIInChI=1S/C22H17F3N8O2/c1-31-7-4-14(29-31)20-26-10-17(35-20)21(34)32-8-5-13-18(28-11-27-13)19(32)15-9-16-12(22(23,24)25)3-2-6-33(16)30-15/h2-4,6-7,9-11,19H,5,8H2,1H3,(H,27,28)/t19-/m1/s1
InChIKeySYVVAMFFIUZZDI-LJQANCHMSA-N
MW482.43 g/mol
LogP3.25
Rot. Bonds3

About [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

[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 (PubChem CID 169166354) has the molecular formula C22H17F3N8O2 and a molecular weight of 482.43 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID169166354
Molecular FormulaC22H17F3N8O2
Molecular Weight482.43 g/mol
Exact Mass482.14
IUPAC Name[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
SMILESCn1ccc(-c2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)n1
InChIInChI=1S/C22H17F3N8O2/c1-31-7-4-14(29-31)20-26-10-17(35-20)21(34)32-8-5-13-18(28-11-27-13)19(32)15-9-16-12(22(23,24)25)3-2-6-33(16)30-15/h2-4,6-7,9-11,19H,5,8H2,1H3,(H,27,28)/t19-/m1/s1
InChIKeySYVVAMFFIUZZDI-LJQANCHMSA-N
XLogP3.25
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[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
(2-pyrazin-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 169165537
[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-(1-methylpyrazol-4-yl)-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 170332647
(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-pyrimidin-2-yl-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 170332117
[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
(5-pyridin-2-yl-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 174213746
[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
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyrazin-2-yl-1,3-oxazol-5-yl)methanone
CID 169165968
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cn1ccc(-c2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)n1.
What is the InChIKey of [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?
The InChIKey is SYVVAMFFIUZZDI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17F3N8O2/c1-31-7-4-14(29-31)20-26-10-17(35-20)21(34)32-8-5-13-18(28-11-27-13)19(32)15-9-16-12(22(23,24)25)3-2-6-33(16)30-15/h2-4,6-7,9-11,19H,5,8H2,1H3,(H,27,28)/t19-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 482.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 169166354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).