[4-(difluoromethyl)-2-pyridin-4-yl-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

C23H15F3N6O3 — CID 169162773

IUPAC[4-(difluoromethyl)-2-pyridin-4-yl-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
SMILESO=C(c1oc(-c2ccncc2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C23H15F3N6O3/c24-12-1-2-15-14(9-12)30-22(34-15)18-16-13(28-10-29-16)5-8-32(18)23(33)19-17(20(25)26)31-21(35-19)11-3-6-27-7-4-11/h1-4,6-7,9-10,18,20H,5,8H2,(H,28,29)/t18-/m0/s1
InChIKeyPVSDLJISXCRQIA-SFHVURJKSA-N
MW480.41 g/mol
LogP4.47
Rot. Bonds4

About [4-(difluoromethyl)-2-pyridin-4-yl-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

[4-(difluoromethyl)-2-pyridin-4-yl-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 (PubChem CID 169162773) has the molecular formula C23H15F3N6O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-pyridin-4-yl-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.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-pyridin-4-yl-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
PubChem CID169162773
Molecular FormulaC23H15F3N6O3
Molecular Weight480.41 g/mol
Exact Mass480.12
IUPAC Name[4-(difluoromethyl)-2-pyridin-4-yl-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
SMILESO=C(c1oc(-c2ccncc2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1
InChIInChI=1S/C23H15F3N6O3/c24-12-1-2-15-14(9-12)30-22(34-15)18-16-13(28-10-29-16)5-8-32(18)23(33)19-17(20(25)26)31-21(35-19)11-3-6-27-7-4-11/h1-4,6-7,9-10,18,20H,5,8H2,(H,28,29)/t18-/m0/s1
InChIKeyPVSDLJISXCRQIA-SFHVURJKSA-N
XLogP4.47
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(difluoromethyl)-2-pyridin-4-yl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
CID 44555283
2-(1-{[2-(Pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-yl)-1,3-benzoxazole
CID 16187543
N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
CID 76310681
N-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 86270559
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90405678
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 136203285
US10800784, Example 2
CID 153311243
Bru-tha-92256091-67
CID 156906850
benzyl (S)-1-((S)-1-((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylcarbamate
CID 44563622
benzyl (S)-1-((S)-1-((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-ylamino)-1-oxo-4-phenylbutan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylcarbamate
CID 44563624
2-(5-piperazin-1-ylfuran-2-yl)-N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49856647

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-pyridin-4-yl-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?
The IUPAC name of [4-(difluoromethyl)-2-pyridin-4-yl-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 169162773) is [4-(difluoromethyl)-2-pyridin-4-yl-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.
What is the SMILES notation for [4-(difluoromethyl)-2-pyridin-4-yl-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?
The canonical SMILES for [4-(difluoromethyl)-2-pyridin-4-yl-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 is O=C(c1oc(-c2ccncc2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2o1.
What is the InChIKey of [4-(difluoromethyl)-2-pyridin-4-yl-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?
The InChIKey is PVSDLJISXCRQIA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c24-12-1-2-15-14(9-12)30-22(34-15)18-16-13(28-10-29-16)5-8-32(18)23(33)19-17(20(25)26)31-21(35-19)11-3-6-27-7-4-11/h1-4,6-7,9-10,18,20H,5,8H2,(H,28,29)/t18-/m0/s1.
What are the key properties of [4-(difluoromethyl)-2-pyridin-4-yl-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?
[4-(difluoromethyl)-2-pyridin-4-yl-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 has a molecular weight of 480.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-pyridin-4-yl-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 is sourced from PubChem (CID 169162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).