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

C25H19FN6O2S — CID 169167561

IUPAC(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1oc(-c2ccccn2)nc1C1CC1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C25H19FN6O2S/c26-14-4-3-6-17-19(14)31-24(35-17)21-20-15(28-12-29-20)9-11-32(21)25(33)22-18(13-7-8-13)30-23(34-22)16-5-1-2-10-27-16/h1-6,10,12-13,21H,7-9,11H2,(H,28,29)/t21-/m0/s1
InChIKeyHDOOGPCPVJLOBM-NRFANRHFSA-N
MW486.53 g/mol
LogP4.87
Rot. Bonds4

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

(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169167561) has the molecular formula C25H19FN6O2S and a molecular weight of 486.53 g/mol. Its IUPAC name is (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169167561
Molecular FormulaC25H19FN6O2S
Molecular Weight486.53 g/mol
Exact Mass486.13
IUPAC Name(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1oc(-c2ccccn2)nc1C1CC1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C25H19FN6O2S/c26-14-4-3-6-17-19(14)31-24(35-17)21-20-15(28-12-29-20)9-11-32(21)25(33)22-18(13-7-8-13)30-23(34-22)16-5-1-2-10-27-16/h1-6,10,12-13,21H,7-9,11H2,(H,28,29)/t21-/m0/s1
InChIKeyHDOOGPCPVJLOBM-NRFANRHFSA-N
XLogP4.87
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-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-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169167561) is (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1oc(-c2ccccn2)nc1C1CC1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1.
What is the InChIKey of (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HDOOGPCPVJLOBM-NRFANRHFSA-N. The full InChI is InChI=1S/C25H19FN6O2S/c26-14-4-3-6-17-19(14)31-24(35-17)21-20-15(28-12-29-20)9-11-32(21)25(33)22-18(13-7-8-13)30-23(34-22)16-5-1-2-10-27-16/h1-6,10,12-13,21H,7-9,11H2,(H,28,29)/t21-/m0/s1.
What are the key properties of (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 486.53 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).