[(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

C22H16F2N8O2 — CID 169164729

IUPAC[(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
SMILESO=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)F)cccn2n1
InChIInChI=1S/C22H16F2N8O2/c23-20(24)12-2-1-6-32-16(12)8-14(30-32)19-18-13(28-11-29-18)3-7-31(19)22(33)17-10-27-21(34-17)15-9-25-4-5-26-15/h1-2,4-6,8-11,19-20H,3,7H2,(H,28,29)/t19-/m1/s1
InChIKeyRREJFJLEEVZXRJ-LJQANCHMSA-N
MW462.42 g/mol
LogP3.23
Rot. Bonds4

About [(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

[(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 (PubChem CID 169164729) has the molecular formula C22H16F2N8O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID169164729
Molecular FormulaC22H16F2N8O2
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Name[(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
SMILESO=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)F)cccn2n1
InChIInChI=1S/C22H16F2N8O2/c23-20(24)12-2-1-6-32-16(12)8-14(30-32)19-18-13(28-11-29-18)3-7-31(19)22(33)17-10-27-21(34-17)15-9-25-4-5-26-15/h1-2,4-6,8-11,19-20H,3,7H2,(H,28,29)/t19-/m1/s1
InChIKeyRREJFJLEEVZXRJ-LJQANCHMSA-N
XLogP3.23
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(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 with MolForge

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Related Compounds

[(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
(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-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
[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
[(4R)-4-[4-(difluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169166014
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170334496
[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-(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
[(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
[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
2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 169165231

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C(c1cnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)F)cccn2n1.
What is the InChIKey of [(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?
The InChIKey is RREJFJLEEVZXRJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H16F2N8O2/c23-20(24)12-2-1-6-32-16(12)8-14(30-32)19-18-13(28-11-29-18)3-7-31(19)22(33)17-10-27-21(34-17)15-9-25-4-5-26-15/h1-2,4-6,8-11,19-20H,3,7H2,(H,28,29)/t19-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 462.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 169164729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).