2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane

C35H55N5O2 — CID 142510955

About 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane

2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 142510955) has the molecular formula C35H55N5O2 and a molecular weight of 577.86 g/mol. Its IUPAC name is 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

• Compound Name: 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane
• PubChem CID: 142510955
• Molecular Formula: C35H55N5O2
• Molecular Weight: 577.86 g/mol
• Exact Mass: 577.44
• IUPAC Name: 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane
• SMILES: C=C1C(C(C)CC)=CC(c2cc(=O)n3cc(N4CCN(CCO)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC.CC.CC
• InChI: InChI=1S/C31H43N5O2.2C2H6/c1-7-22(3)24(5)19-35-20-26(17-28(25(35)6)23(4)8-2)29-18-31(38)36-21-27(9-10-30(36)32-29)34-13-11-33(12-14-34)15-16-37;2*1-2/h9-10,17-23,37H,6-8,11-16H2,1-5H3;2*1-2H3/b24-19-
• InChIKey: CTKFLNWLPKXDGJ-NABJOEGNSA-N
• XLogP: 6.95
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.86
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane?

The IUPAC name of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane (CID 142510955) is 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane.

What is the SMILES notation for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane?

The canonical SMILES for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane is C=C1C(C(C)CC)=CC(c2cc(=O)n3cc(N4CCN(CCO)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC.CC.CC.

What is the InChIKey of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane?

The InChIKey is CTKFLNWLPKXDGJ-NABJOEGNSA-N. The full InChI is InChI=1S/C31H43N5O2.2C2H6/c1-7-22(3)24(5)19-35-20-26(17-28(25(35)6)23(4)8-2)29-18-31(38)36-21-27(9-10-30(36)32-29)34-13-11-33(12-14-34)15-16-37;2*1-2/h9-10,17-23,37H,6-8,11-16H2,1-5H3;2*1-2H3/b24-19-;;.

What are the key properties of 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane?

2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 577.86 g/mol, XLogP of 6.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-butan-2-yl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 142510955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).