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

C22H26N8OS — CID 129114913

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

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 129114913) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
• PubChem CID: 129114913
• Molecular Formula: C22H26N8OS
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.20
• IUPAC Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
• SMILES: O=C(Nc1nccs1)[C@@H]1CCCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
• InChI: InChI=1S/C22H26N8OS/c31-20(27-22-23-9-11-32-22)17-6-1-2-10-30(17)21-24-15-5-3-4-14(15)19(26-21)25-18-12-16(28-29-18)13-7-8-13/h9,11-13,17H,1-8,10H2,(H,23,27,31)(H2,24,25,26,28,29)/t17-/m0/s1
• InChIKey: KQRNIEHQGOKPBW-KRWDZBQOSA-N
• XLogP: 3.76
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 129114913) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.

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

The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2.

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

The InChIKey is KQRNIEHQGOKPBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N8OS/c31-20(27-22-23-9-11-32-22)17-6-1-2-10-30(17)21-24-15-5-3-4-14(15)19(26-21)25-18-12-16(28-29-18)13-7-8-13/h9,11-13,17H,1-8,10H2,(H,23,27,31)(H2,24,25,26,28,29)/t17-/m0/s1.

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

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 3.76, 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-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 129114913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).