(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H18F2N6O2 — CID 169165842

IUPAC(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(C(F)F)n2n1
InChIInChI=1S/C21H18F2N6O2/c22-20(23)15-3-1-2-12-8-14(27-29(12)15)18-17-13(24-9-25-17)6-7-28(18)21(30)19-16(11-4-5-11)26-10-31-19/h1-3,8-11,18,20H,4-7H2,(H,24,25)/t18-/m0/s1
InChIKeyGBASREURDQZUKR-SFHVURJKSA-N
MW424.41 g/mol
LogP3.65
Rot. Bonds4

About (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169165842) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169165842
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(C(F)F)n2n1
InChIInChI=1S/C21H18F2N6O2/c22-20(23)15-3-1-2-12-8-14(27-29(12)15)18-17-13(24-9-25-17)6-7-28(18)21(30)19-16(11-4-5-11)26-10-31-19/h1-3,8-11,18,20H,4-7H2,(H,24,25)/t18-/m0/s1
InChIKeyGBASREURDQZUKR-SFHVURJKSA-N
XLogP3.65
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333455
(4-methyl-1,3-oxazol-5-yl)-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332547
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170333338
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 170333811
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332960
[(4S)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170334249
[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]-[(4S)-4-[7-(1-fluoroethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170388962
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170332226
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 170332255
4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-5-pyrimidin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 170332495
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170333548
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165388

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169165842) is (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)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 (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1ocnc1C1CC1)N1CCc2[nH]cnc2[C@@H]1c1cc2cccc(C(F)F)n2n1.
What is the InChIKey of (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GBASREURDQZUKR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c22-20(23)15-3-1-2-12-8-14(27-29(12)15)18-17-13(24-9-25-17)6-7-28(18)21(30)19-16(11-4-5-11)26-10-31-19/h1-3,8-11,18,20H,4-7H2,(H,24,25)/t18-/m0/s1.
What are the key properties of (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 424.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169165842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).