N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H23N5OS — CID 17459705

About N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17459705) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 17459705
• Molecular Formula: C22H23N5OS
• Molecular Weight: 405.53 g/mol
• Exact Mass: 405.16
• IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4s3)cc(C3CC3)nc21
• InChI: InChI=1S/C22H23N5OS/c1-13(2)27-21-16(11-23-27)15(10-18(25-21)14-8-9-14)22(28)26(3)12-20-24-17-6-4-5-7-19(17)29-20/h4-7,10-11,13-14H,8-9,12H2,1-3H3
• InChIKey: WLXGVPZLSFXKDL-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.53
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 17459705) is N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4s3)cc(C3CC3)nc21.

What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is WLXGVPZLSFXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-13(2)27-21-16(11-23-27)15(10-18(25-21)14-8-9-14)22(28)26(3)12-20-24-17-6-4-5-7-19(17)29-20/h4-7,10-11,13-14H,8-9,12H2,1-3H3.

What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-ylmethyl)-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17459705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).