(4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one

C22H31N5O2 — CID 95856716

About (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one

(4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one (PubChem CID 95856716) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
• PubChem CID: 95856716
• Molecular Formula: C22H31N5O2
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.25
• IUPAC Name: (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
• SMILES: CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2
• InChI: InChI=1S/C22H31N5O2/c1-25-9-4-7-19(25)21-23-12-16-13-26(10-8-18(16)24-21)22(29)15-11-20(28)27(14-15)17-5-2-3-6-17/h12,15,17,19H,2-11,13-14H2,1H3/t15-,19-/m1/s1
• InChIKey: KYGXDUAFAUGHID-DNVCBOLYSA-N
• XLogP: 1.92
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?

The IUPAC name of (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one (CID 95856716) is (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one is CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2.

What is the InChIKey of (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?

The InChIKey is KYGXDUAFAUGHID-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-25-9-4-7-19(25)21-23-12-16-13-26(10-8-18(16)24-21)22(29)15-11-20(28)27(14-15)17-5-2-3-6-17/h12,15,17,19H,2-11,13-14H2,1H3/t15-,19-/m1/s1.

What are the key properties of (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one?

(4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one has a molecular weight of 397.52 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95856716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).