[(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

C20H17ClF2N6O3 — CID 170332304

IUPAC[(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
SMILESC[C@@H](O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C20H17ClF2N6O3/c1-9(30)19-26-15(18(22)23)17(32-19)20(31)28-6-4-11-14(25-8-24-11)16(28)12-7-13-10(21)3-2-5-29(13)27-12/h2-3,5,7-9,16,18,30H,4,6H2,1H3,(H,24,25)/t9-,16-/m1/s1
InChIKeyVLWHFDWAVZQLFA-JDNHERCYSA-N
MW462.84 g/mol
LogP3.48
Rot. Bonds4

About [(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

[(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 (PubChem CID 170332304) has the molecular formula C20H17ClF2N6O3 and a molecular weight of 462.84 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID170332304
Molecular FormulaC20H17ClF2N6O3
Molecular Weight462.84 g/mol
Exact Mass462.10
IUPAC Name[(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
SMILESC[C@@H](O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C20H17ClF2N6O3/c1-9(30)19-26-15(18(22)23)17(32-19)20(31)28-6-4-11-14(25-8-24-11)16(28)12-7-13-10(21)3-2-5-29(13)27-12/h2-3,5,7-9,16,18,30H,4,6H2,1H3,(H,24,25)/t9-,16-/m1/s1
InChIKeyVLWHFDWAVZQLFA-JDNHERCYSA-N
XLogP3.48
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Related Compounds

[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)-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-chloro-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 169166335
[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170333527
[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-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
[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-(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-(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
[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
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332739
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332732

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@@H](O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3c(Cl)cccn3n2)o1.
What is the InChIKey of [(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?
The InChIKey is VLWHFDWAVZQLFA-JDNHERCYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O3/c1-9(30)19-26-15(18(22)23)17(32-19)20(31)28-6-4-11-14(25-8-24-11)16(28)12-7-13-10(21)3-2-5-29(13)27-12/h2-3,5,7-9,16,18,30H,4,6H2,1H3,(H,24,25)/t9-,16-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 462.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 170332304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).