[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C24H22F2N8O2 — CID 170385751

IUPAC[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@@H]3c4ncn(F)c4CCN3C(=O)c3oc(-c4cncn4C)nc3C(C)F)cc12
InChIInChI=1S/C24H22F2N8O2/c1-13-5-4-7-34-17(13)9-15(30-34)21-20-16(33(26)12-28-20)6-8-32(21)24(35)22-19(14(2)25)29-23(36-22)18-10-27-11-31(18)3/h4-5,7,9-12,14,21H,6,8H2,1-3H3/t14?,21-/m1/s1
InChIKeyRGOFHWUZUBXREP-OKKPIIHCSA-N
MW492.49 g/mol
LogP3.78
Rot. Bonds4

About [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170385751) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170385751
Molecular FormulaC24H22F2N8O2
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC Name[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@@H]3c4ncn(F)c4CCN3C(=O)c3oc(-c4cncn4C)nc3C(C)F)cc12
InChIInChI=1S/C24H22F2N8O2/c1-13-5-4-7-34-17(13)9-15(30-34)21-20-16(33(26)12-28-20)6-8-32(21)24(35)22-19(14(2)25)29-23(36-22)18-10-27-11-31(18)3/h4-5,7,9-12,14,21H,6,8H2,1-3H3/t14?,21-/m1/s1
InChIKeyRGOFHWUZUBXREP-OKKPIIHCSA-N
XLogP3.78
TPSA99.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 170385751) is [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cc1cccn2nc([C@@H]3c4ncn(F)c4CCN3C(=O)c3oc(-c4cncn4C)nc3C(C)F)cc12.
What is the InChIKey of [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is RGOFHWUZUBXREP-OKKPIIHCSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c1-13-5-4-7-34-17(13)9-15(30-34)21-20-16(33(26)12-28-20)6-8-32(21)24(35)22-19(14(2)25)29-23(36-22)18-10-27-11-31(18)3/h4-5,7,9-12,14,21H,6,8H2,1-3H3/t14?,21-/m1/s1.
What are the key properties of [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
[4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 492.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluoroethyl)-2-(3-methylimidazol-4-yl)-1,3-oxazol-5-yl]-[(4S)-1-fluoro-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170385751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).