[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone

C24H29N7OS — CID 123659443

About [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone

[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 123659443) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

• Compound Name: [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone
• PubChem CID: 123659443
• Molecular Formula: C24H29N7OS
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.22
• IUPAC Name: [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone
• SMILES: Cc1cn2nc(C3CCCCN3C(=O)c3ccc4c(c3)SCN4)cc2nc1N1CCC(N)C1
• InChI: InChI=1S/C24H29N7OS/c1-15-12-31-22(27-23(15)29-9-7-17(25)13-29)11-19(28-31)20-4-2-3-8-30(20)24(32)16-5-6-18-21(10-16)33-14-26-18/h5-6,10-12,17,20,26H,2-4,7-9,13-14,25H2,1H3
• InChIKey: KCVVCEVAKPZMAD-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 91.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone?

The IUPAC name of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone (CID 123659443) is [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone.

What is the SMILES notation for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone?

The canonical SMILES for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone is Cc1cn2nc(C3CCCCN3C(=O)c3ccc4c(c3)SCN4)cc2nc1N1CCC(N)C1.

What is the InChIKey of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone?

The InChIKey is KCVVCEVAKPZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-15-12-31-22(27-23(15)29-9-7-17(25)13-29)11-19(28-31)20-4-2-3-8-30(20)24(32)16-5-6-18-21(10-16)33-14-26-18/h5-6,10-12,17,20,26H,2-4,7-9,13-14,25H2,1H3.

What are the key properties of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone?

[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 463.61 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 123659443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).