5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one

C25H31N7O2 — CID 161154991

About 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one

5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one (PubChem CID 161154991) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one
• PubChem CID: 161154991
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one
• SMILES: CC(C)Cc1cc(Nc2nc(N3CCCC3C(=O)Cc3ccc(=O)[nH]c3)nc3c2CCC3)n[nH]1
• InChI: InChI=1S/C25H31N7O2/c1-15(2)11-17-13-22(31-30-17)28-24-18-5-3-6-19(18)27-25(29-24)32-10-4-7-20(32)21(33)12-16-8-9-23(34)26-14-16/h8-9,13-15,20H,3-7,10-12H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)
• InChIKey: UPEIKAMJBWFQPY-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 119.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one (CID 161154991) is 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one.

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

The canonical SMILES for 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one is CC(C)Cc1cc(Nc2nc(N3CCCC3C(=O)Cc3ccc(=O)[nH]c3)nc3c2CCC3)n[nH]1.

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

The InChIKey is UPEIKAMJBWFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-15(2)11-17-13-22(31-30-17)28-24-18-5-3-6-19(18)27-25(29-24)32-10-4-7-20(32)21(33)12-16-8-9-23(34)26-14-16/h8-9,13-15,20H,3-7,10-12H2,1-2H3,(H,26,34)(H2,27,28,29,30,31).

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

5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one has a molecular weight of 461.57 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-oxoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 161154991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).