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

C24H23N7O2S — CID 176763626

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

[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone (PubChem CID 176763626) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
• PubChem CID: 176763626
• Molecular Formula: C24H23N7O2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
• SMILES: Cc1nc(-c2cnn(C(C)C)c2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1
• InChI: InChI=1S/C24H23N7O2S/c1-13(2)31-11-15(10-27-31)22-28-14(3)21(33-22)24(32)30-9-8-17-19(26-12-25-17)20(30)23-29-16-6-4-5-7-18(16)34-23/h4-7,10-13,20H,8-9H2,1-3H3,(H,25,26)/t20-/m0/s1
• InChIKey: KPIPAKPIJAFFMY-FQEVSTJZSA-N
• XLogP: 4.55
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?

The IUPAC name of [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone (CID 176763626) is [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone.

What is the SMILES notation for [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?

The canonical SMILES for [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone is Cc1nc(-c2cnn(C(C)C)c2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1.

What is the InChIKey of [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?

The InChIKey is KPIPAKPIJAFFMY-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-13(2)31-11-15(10-27-31)22-28-14(3)21(33-22)24(32)30-9-8-17-19(26-12-25-17)20(30)23-29-16-6-4-5-7-18(16)34-23/h4-7,10-13,20H,8-9H2,1-3H3,(H,25,26)/t20-/m0/s1.

What are the key properties of [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone?

[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone has a molecular weight of 473.56 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 176763626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).