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

C21H18F2N6O2 — CID 170332340

IUPAC(2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cnc(C2CC2)o1)N1CCc2[nH]cnc2C1c1cc2c(C(F)F)cccn2n1
InChIInChI=1S/C21H18F2N6O2/c22-19(23)12-2-1-6-29-15(12)8-14(27-29)18-17-13(25-10-26-17)5-7-28(18)21(30)16-9-24-20(31-16)11-3-4-11/h1-2,6,8-11,18-19H,3-5,7H2,(H,25,26)
InChIKeyXSAKONIUVRKIQC-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.65
Rot. Bonds4

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

(2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332340) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170332340
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name(2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cnc(C2CC2)o1)N1CCc2[nH]cnc2C1c1cc2c(C(F)F)cccn2n1
InChIInChI=1S/C21H18F2N6O2/c22-19(23)12-2-1-6-29-15(12)8-14(27-29)18-17-13(25-10-26-17)5-7-28(18)21(30)16-9-24-20(31-16)11-3-4-11/h1-2,6,8-11,18-19H,3-5,7H2,(H,25,26)
InChIKeyXSAKONIUVRKIQC-UHFFFAOYSA-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

[(4S)-4-[4-(difluoromethyl)pyrazolo[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 169164729
[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170332389
[(4S)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
CID 169165253
[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169308351
[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169165432
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(4-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333567
[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
[(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
[(4R)-4-(4-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169165594
(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
(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332218

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332340) is (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(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 (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cnc(C2CC2)o1)N1CCc2[nH]cnc2C1c1cc2c(C(F)F)cccn2n1.
What is the InChIKey of (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is XSAKONIUVRKIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c22-19(23)12-2-1-6-29-15(12)8-14(27-29)18-17-13(25-10-26-17)5-7-28(18)21(30)16-9-24-20(31-16)11-3-4-11/h1-2,6,8-11,18-19H,3-5,7H2,(H,25,26).
What are the key properties of (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(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 (2-cyclopropyl-1,3-oxazol-5-yl)-[4-[4-(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 170332340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).