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

C19H16F2N6O2 — CID 169165807

IUPAC[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2ocnc2C(F)F)nn2ccccc12
InChIInChI=1S/C19H16F2N6O2/c1-10-12-4-2-3-6-27(12)25-13(10)16-14-11(22-8-23-14)5-7-26(16)19(28)17-15(18(20)21)24-9-29-17/h2-4,6,8-9,16,18H,5,7H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeySKEINVLQRXRQRV-MRXNPFEDSA-N
MW398.37 g/mol
LogP3.08
Rot. Bonds3

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

[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169165807) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169165807
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2ocnc2C(F)F)nn2ccccc12
InChIInChI=1S/C19H16F2N6O2/c1-10-12-4-2-3-6-27(12)25-13(10)16-14-11(22-8-23-14)5-7-26(16)19(28)17-15(18(20)21)24-9-29-17/h2-4,6,8-9,16,18H,5,7H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeySKEINVLQRXRQRV-MRXNPFEDSA-N
XLogP3.08
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-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

(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
[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
CID 177297435
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174145278
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213740
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163258
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163481
[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazol-5-yl]methanone
CID 170332304
[4-(difluoromethyl)-2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333392
[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
[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
(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

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169165807) is [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-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 [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2ocnc2C(F)F)nn2ccccc12.
What is the InChIKey of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SKEINVLQRXRQRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-10-12-4-2-3-6-27(12)25-13(10)16-14-11(22-8-23-14)5-7-26(16)19(28)17-15(18(20)21)24-9-29-17/h2-4,6,8-9,16,18H,5,7H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 398.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169165807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).