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

C23H15F3N6O3 — CID 169163414

IUPAC[4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-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]1c1nc2cccc(F)c2o1
InChIInChI=1S/C23H15F3N6O3/c24-12-2-1-3-14-18(12)34-22(30-14)17-15-13(28-10-29-15)6-9-32(17)23(33)19-16(20(25)26)31-21(35-19)11-4-7-27-8-5-11/h1-5,7-8,10,17,20H,6,9H2,(H,28,29)/t17-/m0/s1
InChIKeyBFXOHHZBQPVBAB-KRWDZBQOSA-N
MW480.41 g/mol
LogP4.47
Rot. Bonds4

About [4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169163414) 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-(7-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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169163414
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-(7-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]1c1nc2cccc(F)c2o1
InChIInChI=1S/C23H15F3N6O3/c24-12-2-1-3-14-18(12)34-22(30-14)17-15-13(28-10-29-15)6-9-32(17)23(33)19-16(20(25)26)31-21(35-19)11-4-7-27-8-5-11/h1-5,7-8,10,17,20H,6,9H2,(H,28,29)/t17-/m0/s1
InChIKeyBFXOHHZBQPVBAB-KRWDZBQOSA-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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169163414) is [4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-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-(7-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-(7-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]1c1nc2cccc(F)c2o1.
What is the InChIKey of [4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BFXOHHZBQPVBAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c24-12-2-1-3-14-18(12)34-22(30-14)17-15-13(28-10-29-15)6-9-32(17)23(33)19-16(20(25)26)31-21(35-19)11-4-7-27-8-5-11/h1-5,7-8,10,17,20H,6,9H2,(H,28,29)/t17-/m0/s1.
What are the key properties of [4-(difluoromethyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-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-(7-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-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).