(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C25H32N6O2 — CID 92621672

About (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92621672) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 92621672
• Molecular Formula: C25H32N6O2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.26
• IUPAC Name: (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc2c1CCCN2Cc1ccccn1
• InChI: InChI=1S/C25H32N6O2/c1-17-21-7-5-11-31(16-20-6-3-4-10-26-20)24(21)28-23(27-17)18-8-12-30(13-9-18)25(33)19-14-22(32)29(2)15-19/h3-4,6,10,18-19H,5,7-9,11-16H2,1-2H3/t19-/m1/s1
• InChIKey: MTFRKYCEYIYQJW-LJQANCHMSA-N
• XLogP: 2.32
• TPSA: 82.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 92621672) is (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc2c1CCCN2Cc1ccccn1.

What is the InChIKey of (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is MTFRKYCEYIYQJW-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-21-7-5-11-31(16-20-6-3-4-10-26-20)24(21)28-23(27-17)18-8-12-30(13-9-18)25(33)19-14-22(32)29(2)15-19/h3-4,6,10,18-19H,5,7-9,11-16H2,1-2H3/t19-/m1/s1.

What are the key properties of (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one?

(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92621672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).