2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C32H45N5O2 — CID 170020067

About 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170020067) has the molecular formula C32H45N5O2 and a molecular weight of 531.75 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 170020067
• Molecular Formula: C32H45N5O2
• Molecular Weight: 531.75 g/mol
• Exact Mass: 531.36
• IUPAC Name: 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: C=C1C(C(C)C)=CC(c2cc(=O)n3cc(N4CCN(CCOC)C(C)C4)ccc3n2)=CN1/C=C(/C)C(C)CC
• InChI: InChI=1S/C32H45N5O2/c1-9-23(4)24(5)18-36-20-27(16-29(22(2)3)26(36)7)30-17-32(38)37-21-28(10-11-31(37)33-30)35-13-12-34(14-15-39-8)25(6)19-35/h10-11,16-18,20-23,25H,7,9,12-15,19H2,1-6,8H3/b24-18-
• InChIKey: QIRPBJWBPBSKAV-MOHJPFBDSA-N
• XLogP: 5.55
• TPSA: 53.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.75
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 170020067) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is C=C1C(C(C)C)=CC(c2cc(=O)n3cc(N4CCN(CCOC)C(C)C4)ccc3n2)=CN1/C=C(/C)C(C)CC.

What is the InChIKey of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is QIRPBJWBPBSKAV-MOHJPFBDSA-N. The full InChI is InChI=1S/C32H45N5O2/c1-9-23(4)24(5)18-36-20-27(16-29(22(2)3)26(36)7)30-17-32(38)37-21-28(10-11-31(37)33-30)35-13-12-34(14-15-39-8)25(6)19-35/h10-11,16-18,20-23,25H,7,9,12-15,19H2,1-6,8H3/b24-18-.

What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 531.75 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-5-propan-2-yl-3-pyridinyl]-7-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170020067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).