2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H32N6O2 — CID 137090526

About 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137090526) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 137090526
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C24H32N6O2/c1-2-30-21(10-12-25-30)24(32)29-14-11-19-18(16-29)23(31)27-22(26-19)20-9-6-13-28(20)15-17-7-4-3-5-8-17/h3-4,10,12,17,20H,2,5-9,11,13-16H2,1H3,(H,26,27,31)/t17-,20-/m1/s1
• InChIKey: QWPHMSAXUAZNNC-YLJYHZDGSA-N
• XLogP: 2.68
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137090526) is 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1.

What is the InChIKey of 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is QWPHMSAXUAZNNC-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-2-30-21(10-12-25-30)24(32)29-14-11-19-18(16-29)23(31)27-22(26-19)20-9-6-13-28(20)15-17-7-4-3-5-8-17/h3-4,10,12,17,20H,2,5-9,11,13-16H2,1H3,(H,26,27,31)/t17-,20-/m1/s1.

What are the key properties of 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 436.56 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-6-(2-ethylpyrazole-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137090526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).