6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H32N4O2 — CID 136891613

About 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136891613) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136891613
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1
• InChI: InChI=1S/C25H32N4O2/c1-17(18-7-3-2-4-8-18)25(31)29-13-11-19(15-29)23-26-22-12-14-28(20-9-5-6-10-20)16-21(22)24(30)27-23/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,26,27,30)/t17-,19-/m1/s1
• InChIKey: YYJCLXCWYJGYRM-IEBWSBKVSA-N
• XLogP: 3.19
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136891613) is 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1)c1ccccc1.

What is the InChIKey of 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is YYJCLXCWYJGYRM-IEBWSBKVSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17(18-7-3-2-4-8-18)25(31)29-13-11-19(15-29)23-26-22-12-14-28(20-9-5-6-10-20)16-21(22)24(30)27-23/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,26,27,30)/t17-,19-/m1/s1.

What are the key properties of 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136891613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).