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

C24H30N8OS — CID 129114636

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

(2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114636) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 129114636
• Molecular Formula: C24H30N8OS
• Molecular Weight: 478.63 g/mol
• Exact Mass: 478.23
• IUPAC Name: (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: C[C@@H]1CCc2c(Nc3cc(C4CCCC4)[nH]n3)nc(N3CCC[C@H]3C(=O)Nc3nccs3)nc21
• InChI: InChI=1S/C24H30N8OS/c1-14-8-9-16-20(14)27-23(32-11-4-7-18(32)22(33)29-24-25-10-12-34-24)28-21(16)26-19-13-17(30-31-19)15-5-2-3-6-15/h10,12-15,18H,2-9,11H2,1H3,(H,25,29,33)(H2,26,27,28,30,31)/t14-,18+/m1/s1
• InChIKey: MMVDOVMOOTXWQE-KDOFPFPSSA-N
• XLogP: 4.71
• 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	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 129114636) is (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is C[C@@H]1CCc2c(Nc3cc(C4CCCC4)[nH]n3)nc(N3CCC[C@H]3C(=O)Nc3nccs3)nc21.

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

The InChIKey is MMVDOVMOOTXWQE-KDOFPFPSSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-14-8-9-16-20(14)27-23(32-11-4-7-18(32)22(33)29-24-25-10-12-34-24)28-21(16)26-19-13-17(30-31-19)15-5-2-3-6-15/h10,12-15,18H,2-9,11H2,1H3,(H,25,29,33)(H2,26,27,28,30,31)/t14-,18+/m1/s1.

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

(2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-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 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(7R)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).