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

C22H28N8OS — CID 118640241

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

1-[4-[(5-propan-2-yl-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 118640241) has the molecular formula C22H28N8OS and a molecular weight of 452.59 g/mol. Its IUPAC name is 1-[4-[(5-propan-2-yl-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: 1-[4-[(5-propan-2-yl-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: 118640241
• Molecular Formula: C22H28N8OS
• Molecular Weight: 452.59 g/mol
• Exact Mass: 452.21
• IUPAC Name: 1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
• SMILES: CC(C)c1cc(Nc2nc(N3CCCCC3C(=O)Nc3nccs3)nc3c2CCC3)n[nH]1
• InChI: InChI=1S/C22H28N8OS/c1-13(2)16-12-18(29-28-16)25-19-14-6-5-7-15(14)24-21(26-19)30-10-4-3-8-17(30)20(31)27-22-23-9-11-32-22/h9,11-13,17H,3-8,10H2,1-2H3,(H,23,27,31)(H2,24,25,26,28,29)
• InChIKey: IANFMYFJUAWHQD-UHFFFAOYSA-N
• XLogP: 4.01
• 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	452.59
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-propan-2-yl-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 1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 118640241) is 1-[4-[(5-propan-2-yl-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 1-[4-[(5-propan-2-yl-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 1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is CC(C)c1cc(Nc2nc(N3CCCCC3C(=O)Nc3nccs3)nc3c2CCC3)n[nH]1.

What is the InChIKey of 1-[4-[(5-propan-2-yl-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 IANFMYFJUAWHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OS/c1-13(2)16-12-18(29-28-16)25-19-14-6-5-7-15(14)24-21(26-19)30-10-4-3-8-17(30)20(31)27-22-23-9-11-32-22/h9,11-13,17H,3-8,10H2,1-2H3,(H,23,27,31)(H2,24,25,26,28,29).

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

1-[4-[(5-propan-2-yl-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 452.59 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5-propan-2-yl-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 118640241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).