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

C23H26F2N8OS — CID 129114686

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

(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114686) has the molecular formula C23H26F2N8OS and a molecular weight of 500.58 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 129114686
• Molecular Formula: C23H26F2N8OS
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.19
• IUPAC Name: (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nccs1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CC(F)(F)C2
• InChI: InChI=1S/C23H26F2N8OS/c24-23(25)11-14-16(12-23)27-21(33-8-3-6-17(33)20(34)30-22-26-7-9-35-22)29-19(14)28-18-10-15(31-32-18)13-4-1-2-5-13/h7,9-10,13,17H,1-6,8,11-12H2,(H,26,30,34)(H2,27,28,29,31,32)/t17-/m0/s1
• InChIKey: UFYCGIKFYIKUAQ-KRWDZBQOSA-N
• XLogP: 4.40
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 129114686) is (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CC(F)(F)C2.

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

The InChIKey is UFYCGIKFYIKUAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26F2N8OS/c24-23(25)11-14-16(12-23)27-21(33-8-3-6-17(33)20(34)30-22-26-7-9-35-22)29-19(14)28-18-10-15(31-32-18)13-4-1-2-5-13/h7,9-10,13,17H,1-6,8,11-12H2,(H,26,30,34)(H2,27,28,29,31,32)/t17-/m0/s1.

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

(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,6-difluoro-5,7-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).