1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone

C25H31N7O2 — CID 162160848

About 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone

1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone (PubChem CID 162160848) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone
• PubChem CID: 162160848
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone
• SMILES: O=C(Cc1ncco1)C1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCC2
• InChI: InChI=1S/C25H31N7O2/c33-21(15-23-26-11-13-34-23)20-10-5-12-32(20)25-27-18-9-4-8-17(18)24(29-25)28-22-14-19(30-31-22)16-6-2-1-3-7-16/h11,13-14,16,20H,1-10,12,15H2,(H2,27,28,29,30,31)
• InChIKey: ZMLOPHLDYOHODK-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 112.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone?

The IUPAC name of 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone (CID 162160848) is 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone.

What is the SMILES notation for 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone?

The canonical SMILES for 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone is O=C(Cc1ncco1)C1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCC2.

What is the InChIKey of 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone?

The InChIKey is ZMLOPHLDYOHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c33-21(15-23-26-11-13-34-23)20-10-5-12-32(20)25-27-18-9-4-8-17(18)24(29-25)28-22-14-19(30-31-22)16-6-2-1-3-7-16/h11,13-14,16,20H,1-10,12,15H2,(H2,27,28,29,30,31).

What are the key properties of 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone?

1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone has a molecular weight of 461.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 162160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).