1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

C23H23ClN6O3S — CID 152978713

About 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (PubChem CID 152978713) has the molecular formula C23H23ClN6O3S and a molecular weight of 499.00 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
• PubChem CID: 152978713
• Molecular Formula: C23H23ClN6O3S
• Molecular Weight: 499.00 g/mol
• Exact Mass: 498.12
• IUPAC Name: 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
• SMILES: COc1nc(-n2nccn2)c(Cl)cc1CC(=O)Cc1cnc2sc(C)nc2c1C(OC)C1CC1
• InChI: InChI=1S/C23H23ClN6O3S/c1-12-28-19-18(20(32-2)13-4-5-13)15(11-25-23(19)34-12)9-16(31)8-14-10-17(24)21(29-22(14)33-3)30-26-6-7-27-30/h6-7,10-11,13,20H,4-5,8-9H2,1-3H3
• InChIKey: UTYBYWOJNUDNOV-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 104.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.00
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The IUPAC name of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (CID 152978713) is 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.

What is the SMILES notation for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The canonical SMILES for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is COc1nc(-n2nccn2)c(Cl)cc1CC(=O)Cc1cnc2sc(C)nc2c1C(OC)C1CC1.

What is the InChIKey of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The InChIKey is UTYBYWOJNUDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S/c1-12-28-19-18(20(32-2)13-4-5-13)15(11-25-23(19)34-12)9-16(31)8-14-10-17(24)21(29-22(14)33-3)30-26-6-7-27-30/h6-7,10-11,13,20H,4-5,8-9H2,1-3H3.

What are the key properties of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one has a molecular weight of 499.00 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is sourced from PubChem (CID 152978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).