6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one

C32H32ClN7O3 — CID 153292901

About 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 153292901) has the molecular formula C32H32ClN7O3 and a molecular weight of 598.11 g/mol. Its IUPAC name is 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 153292901
• Molecular Formula: C32H32ClN7O3
• Molecular Weight: 598.11 g/mol
• Exact Mass: 597.23
• IUPAC Name: 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5c4CC(=O)N5)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/C32H32ClN7O3/c1-6-26(42)38-12-13-39(19(5)16-38)30-22-14-23(33)28(20-8-7-9-24-21(20)15-25(41)35-24)36-31(22)40(32(43)37-30)29-18(4)10-11-34-27(29)17(2)3/h6-11,14,17,19H,1,12-13,15-16H2,2-5H3,(H,35,41)/t19-/m0/s1
• InChIKey: QJZRMXXCDGMTGZ-IBGZPJMESA-N
• XLogP: 4.65
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.11
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
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-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one (CID 153292901) is 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5c4CC(=O)N5)c(Cl)cc23)[C@@H](C)C1.

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

The InChIKey is QJZRMXXCDGMTGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C32H32ClN7O3/c1-6-26(42)38-12-13-39(19(5)16-38)30-22-14-23(33)28(20-8-7-9-24-21(20)15-25(41)35-24)36-31(22)40(32(43)37-30)29-18(4)10-11-34-27(29)17(2)3/h6-11,14,17,19H,1,12-13,15-16H2,2-5H3,(H,35,41)/t19-/m0/s1.

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

6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 598.11 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-oxo-1,3-dihydroindol-4-yl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 153292901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).