[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H21F3N6O3 — CID 170332062

IUPAC[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3oc(C(C)(C)O)nc3C(F)(F)F)cc12
InChIInChI=1S/C22H21F3N6O3/c1-11-5-4-7-31-14(11)9-13(29-31)16-15-12(26-10-27-15)6-8-30(16)19(32)17-18(22(23,24)25)28-20(34-17)21(2,3)33/h4-5,7,9-10,16,33H,6,8H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeySGQVJQLACVQUKH-MRXNPFEDSA-N
MW474.44 g/mol
LogP3.39
Rot. Bonds3

About [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332062) has the molecular formula C22H21F3N6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170332062
Molecular FormulaC22H21F3N6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC Name[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3oc(C(C)(C)O)nc3C(F)(F)F)cc12
InChIInChI=1S/C22H21F3N6O3/c1-11-5-4-7-31-14(11)9-13(29-31)16-15-12(26-10-27-15)6-8-30(16)19(32)17-18(22(23,24)25)28-20(34-17)21(2,3)33/h4-5,7,9-10,16,33H,6,8H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeySGQVJQLACVQUKH-MRXNPFEDSA-N
XLogP3.39
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[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

[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169165191
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 170332583
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332852
[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 170332100
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 170332950
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193805
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332036
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165879
[(4R)-4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169165759
[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
[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
[(4S)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169163691

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332062) is [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[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-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3oc(C(C)(C)O)nc3C(F)(F)F)cc12.
What is the InChIKey of [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SGQVJQLACVQUKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21F3N6O3/c1-11-5-4-7-31-14(11)9-13(29-31)16-15-12(26-10-27-15)6-8-30(16)19(32)17-18(22(23,24)25)28-20(34-17)21(2,3)33/h4-5,7,9-10,16,33H,6,8H2,1-3H3,(H,26,27)/t16-/m1/s1.
What are the key properties of [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 474.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).