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

C23H17FN6O2S — CID 169167372

IUPAC[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C23H17FN6O2S/c1-12-20(32-21(28-12)15-6-2-3-9-25-15)23(31)30-10-8-14-18(27-11-26-14)19(30)22-29-17-13(24)5-4-7-16(17)33-22/h2-7,9,11,19H,8,10H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyTVCKYIAIDTUPPK-IBGZPJMESA-N
MW460.49 g/mol
LogP4.30
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 169167372) has the molecular formula C23H17FN6O2S and a molecular weight of 460.49 g/mol. Its IUPAC name is [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID169167372
Molecular FormulaC23H17FN6O2S
Molecular Weight460.49 g/mol
Exact Mass460.11
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C23H17FN6O2S/c1-12-20(32-21(28-12)15-6-2-3-9-25-15)23(31)30-10-8-14-18(27-11-26-14)19(30)22-29-17-13(24)5-4-7-16(17)33-22/h2-7,9,11,19H,8,10H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyTVCKYIAIDTUPPK-IBGZPJMESA-N
XLogP4.30
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (CID 169167372) is [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1.
What is the InChIKey of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is TVCKYIAIDTUPPK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H17FN6O2S/c1-12-20(32-21(28-12)15-6-2-3-9-25-15)23(31)30-10-8-14-18(27-11-26-14)19(30)22-29-17-13(24)5-4-7-16(17)33-22/h2-7,9,11,19H,8,10H2,1H3,(H,26,27)/t19-/m0/s1.
What are the key properties of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 460.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169167372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).