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

C27H33F2N5O — CID 142511449

IUPAC2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C(C)(F)F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C27H33F2N5O/c1-6-18(2)19(3)15-33-16-21(13-23(20(33)4)27(5,28)29)24-14-26(35)34-17-22(7-8-25(34)31-24)32-11-9-30-10-12-32/h7-8,13-18,30H,4,6,9-12H2,1-3,5H3/b19-15-
InChIKeyDGPUZABYYREHMH-CYVLTUHYSA-N
MW481.59 g/mol
LogP4.81
Rot. Bonds6

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

2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511449) has the molecular formula C27H33F2N5O and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511449
Molecular FormulaC27H33F2N5O
Molecular Weight481.59 g/mol
Exact Mass481.27
IUPAC Name2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESC=C1C(C(C)(F)F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C27H33F2N5O/c1-6-18(2)19(3)15-33-16-21(13-23(20(33)4)27(5,28)29)24-14-26(35)34-17-22(7-8-25(34)31-24)32-11-9-30-10-12-32/h7-8,13-18,30H,4,6,9-12H2,1-3,5H3/b19-15-
InChIKeyDGPUZABYYREHMH-CYVLTUHYSA-N
XLogP4.81
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
(1S)-4-[(Z)-amino-(3-amino-1-methyl-2-pyridinylidene)methyl]-N-[4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]cyclohexa-2,4-diene-1-carboxamide
CID 90316432
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374197
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511449) is 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is C=C1C(C(C)(F)F)=CC(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)=CN1/C=C(/C)C(C)CC.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DGPUZABYYREHMH-CYVLTUHYSA-N. The full InChI is InChI=1S/C27H33F2N5O/c1-6-18(2)19(3)15-33-16-21(13-23(20(33)4)27(5,28)29)24-14-26(35)34-17-22(7-8-25(34)31-24)32-11-9-30-10-12-32/h7-8,13-18,30H,4,6,9-12H2,1-3,5H3/b19-15-.
What are the key properties of 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 481.59 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).