(2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C25H24N6OS — CID 139355461

About (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 139355461) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 139355461
• Molecular Formula: C25H24N6OS
• Molecular Weight: 456.58 g/mol
• Exact Mass: 456.17
• IUPAC Name: (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(-c3ccccn3)nc(C3CC3)c2s1
• InChI: InChI=1S/C25H24N6OS/c32-24(27-15-16-7-2-1-3-8-16)19-10-6-14-31(19)25-30-23-21(33-25)20(17-11-12-17)28-22(29-23)18-9-4-5-13-26-18/h1-5,7-9,13,17,19H,6,10-12,14-15H2,(H,27,32)/t19-/m1/s1
• InChIKey: PUIBINMJVFELDW-LJQANCHMSA-N
• XLogP: 4.31
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.58
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 139355461) is (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(-c3ccccn3)nc(C3CC3)c2s1.

What is the InChIKey of (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is PUIBINMJVFELDW-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N6OS/c32-24(27-15-16-7-2-1-3-8-16)19-10-6-14-31(19)25-30-23-21(33-25)20(17-11-12-17)28-22(29-23)18-9-4-5-13-26-18/h1-5,7-9,13,17,19H,6,10-12,14-15H2,(H,27,32)/t19-/m1/s1.

What are the key properties of (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

(2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 456.58 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).