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

C22H18FN7O3 — CID 169162795

IUPAC[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C22H18FN7O3/c1-11-18(32-20(27-11)12-8-26-29(2)9-12)22(31)30-7-6-14-16(25-10-24-14)17(30)21-28-15-5-3-4-13(23)19(15)33-21/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyBRQZTPBWDAGEIQ-KRWDZBQOSA-N
MW447.43 g/mol
LogP3.17
Rot. Bonds3

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

[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone (PubChem CID 169162795) has the molecular formula C22H18FN7O3 and a molecular weight of 447.43 g/mol. Its IUPAC name is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
PubChem CID169162795
Molecular FormulaC22H18FN7O3
Molecular Weight447.43 g/mol
Exact Mass447.15
IUPAC Name[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C22H18FN7O3/c1-11-18(32-20(27-11)12-8-26-29(2)9-12)22(31)30-7-6-14-16(25-10-24-14)17(30)21-28-15-5-3-4-13(23)19(15)33-21/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyBRQZTPBWDAGEIQ-KRWDZBQOSA-N
XLogP3.17
TPSA118.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone (CID 169162795) is [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone is Cc1nc(-c2cnn(C)c2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1.
What is the InChIKey of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?
The InChIKey is BRQZTPBWDAGEIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18FN7O3/c1-11-18(32-20(27-11)12-8-26-29(2)9-12)22(31)30-7-6-14-16(25-10-24-14)17(30)21-28-15-5-3-4-13(23)19(15)33-21/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone has a molecular weight of 447.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 169162795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).