6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one

C32H35N7O2 — CID 162732794

About 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one

6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 162732794) has the molecular formula C32H35N7O2 and a molecular weight of 549.68 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 162732794
• Molecular Formula: C32H35N7O2
• Molecular Weight: 549.68 g/mol
• Exact Mass: 549.29
• IUPAC Name: 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccnc4)c(C4CC4)cc23)[C@@H](C)C1
• InChI: InChI=1S/C32H35N7O2/c1-6-26(40)37-14-15-38(21(5)18-37)30-25-16-24(22-9-10-22)28(23-8-7-12-33-17-23)35-31(25)39(32(41)36-30)29-20(4)11-13-34-27(29)19(2)3/h6-8,11-13,16-17,19,21-22H,1,9-10,14-15,18H2,2-5H3/t21-/m0/s1
• InChIKey: UMHNRSCCBQBTBI-NRFANRHFSA-N
• XLogP: 4.77
• TPSA: 97.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.68
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one (CID 162732794) is 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccnc4)c(C4CC4)cc23)[C@@H](C)C1.

What is the InChIKey of 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one?

The InChIKey is UMHNRSCCBQBTBI-NRFANRHFSA-N. The full InChI is InChI=1S/C32H35N7O2/c1-6-26(40)37-14-15-38(21(5)18-37)30-25-16-24(22-9-10-22)28(23-8-7-12-33-17-23)35-31(25)39(32(41)36-30)29-20(4)11-13-34-27(29)19(2)3/h6-8,11-13,16-17,19,21-22H,1,9-10,14-15,18H2,2-5H3/t21-/m0/s1.

What are the key properties of 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one?

6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 549.68 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-pyridin-3-ylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162732794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).