(2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C24H30N8OS — CID 129114597

About (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114597) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 129114597
• Molecular Formula: C24H30N8OS
• Molecular Weight: 478.63 g/mol
• Exact Mass: 478.23
• IUPAC Name: (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nccs1)[C@H]1CCCN1c1nc2c(c(Nc3ncc(C4CCCCC4)[nH]3)n1)CCC2
• InChI: InChI=1S/C24H30N8OS/c33-21(31-24-25-11-13-34-24)19-10-5-12-32(19)23-28-17-9-4-8-16(17)20(30-23)29-22-26-14-18(27-22)15-6-2-1-3-7-15/h11,13-15,19H,1-10,12H2,(H,25,31,33)(H2,26,27,28,29,30)/t19-/m1/s1
• InChIKey: AOGRYKREASRCCQ-LJQANCHMSA-N
• XLogP: 4.54
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.63
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 129114597) is (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@H]1CCCN1c1nc2c(c(Nc3ncc(C4CCCCC4)[nH]3)n1)CCC2.

What is the InChIKey of (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is AOGRYKREASRCCQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N8OS/c33-21(31-24-25-11-13-34-24)19-10-5-12-32(19)23-28-17-9-4-8-16(17)20(30-23)29-22-26-14-18(27-22)15-6-2-1-3-7-15/h11,13-15,19H,1-10,12H2,(H,25,31,33)(H2,26,27,28,29,30)/t19-/m1/s1.

What are the key properties of (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

(2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 478.63 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(5-cyclohexyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).