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

C26H32FN5O — CID 142511017

IUPAC2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(F)=CC(c2cc(=O)n3cc(N4CCN(C)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C26H32FN5O/c1-6-18(2)19(3)15-31-16-21(13-23(27)20(31)4)24-14-26(33)32-17-22(7-8-25(32)28-24)30-11-9-29(5)10-12-30/h7-8,13-18H,4,6,9-12H2,1-3,5H3/b19-15-
InChIKeyYDDRZFSKLJXVMR-CYVLTUHYSA-N
MW449.57 g/mol
LogP4.42
Rot. Bonds5

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

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511017) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID142511017
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC Name2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(F)=CC(c2cc(=O)n3cc(N4CCN(C)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C26H32FN5O/c1-6-18(2)19(3)15-31-16-21(13-23(27)20(31)4)24-14-26(33)32-17-22(7-8-25(32)28-24)30-11-9-29(5)10-12-30/h7-8,13-18H,4,6,9-12H2,1-3,5H3/b19-15-
InChIKeyYDDRZFSKLJXVMR-CYVLTUHYSA-N
XLogP4.42
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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-(4-methylpiperazin-1-yl)pyrido[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-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142511017) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[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-(4-methylpiperazin-1-yl)pyrido[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-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is C=C1C(F)=CC(c2cc(=O)n3cc(N4CCN(C)CC4)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-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YDDRZFSKLJXVMR-CYVLTUHYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-6-18(2)19(3)15-31-16-21(13-23(27)20(31)4)24-14-26(33)32-17-22(7-8-25(32)28-24)30-11-9-29(5)10-12-30/h7-8,13-18H,4,6,9-12H2,1-3,5H3/b19-15-.
What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 449.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 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-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).