2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C25H30FN5O — CID 142511416

IUPAC2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C25H30FN5O/c1-5-17(2)18(3)14-30-15-20(12-22(26)19(30)4)23-13-25(32)31-16-21(6-7-24(31)28-23)29-10-8-27-9-11-29/h6-7,12-17,27H,4-5,8-11H2,1-3H3/b18-14-
InChIKeyNTFWDGQMSQWCDV-JXAWBTAJSA-N
MW435.55 g/mol
LogP4.08
Rot. Bonds5

About 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511416) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511416
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C25H30FN5O/c1-5-17(2)18(3)14-30-15-20(12-22(26)19(30)4)23-13-25(32)31-16-21(6-7-24(31)28-23)29-10-8-27-9-11-29/h6-7,12-17,27H,4-5,8-11H2,1-3H3/b18-14-
InChIKeyNTFWDGQMSQWCDV-JXAWBTAJSA-N
XLogP4.08
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511416) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is C=C1C(F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC.
What is the InChIKey of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NTFWDGQMSQWCDV-JXAWBTAJSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-5-17(2)18(3)14-30-15-20(12-22(26)19(30)4)23-13-25(32)31-16-21(6-7-24(31)28-23)29-10-8-27-9-11-29/h6-7,12-17,27H,4-5,8-11H2,1-3H3/b18-14-.
What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 435.55 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).