8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one

C23H25F2N5O — CID 143596900

IUPAC8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=CC(=C(C)C)c1nc(NCCN(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N5O/c1-6-15(14(2)3)20-16-10-11-19(31)30(21-17(24)8-7-9-18(21)25)22(16)28-23(27-20)26-12-13-29(4)5/h6-11H,1,12-13H2,2-5H3,(H,26,27,28)
InChIKeyWABQPUXHKVETQJ-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.01
Rot. Bonds7

About 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143596900) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID143596900
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=CC(=C(C)C)c1nc(NCCN(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N5O/c1-6-15(14(2)3)20-16-10-11-19(31)30(21-17(24)8-7-9-18(21)25)22(16)28-23(27-20)26-12-13-29(4)5/h6-11H,1,12-13H2,2-5H3,(H,26,27,28)
InChIKeyWABQPUXHKVETQJ-UHFFFAOYSA-N
XLogP4.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-propylbenzamide
CID 59212732
N-(2,6-difluorophenyl)-N-[2-[2-(dimethylamino)ethylamino]-5-(methylaminomethyl)-6-(4-methylpenta-1,3-dien-3-yl)pyrimidin-4-yl]formamide
CID 143302649
3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-N,N-diethyl-4-methylbenzamide
CID 59212752
2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-4-[5-[1-(2-ethenylsulfanylprop-2-enylamino)ethenyl]-2-methylphenyl]pyrido[2,3-d]pyrimidin-7-one;ethane
CID 143302921
1-[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]-3-methylurea
CID 59639510
N-cyclopropyl-4-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]benzamide
CID 57434635
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
(2E,3E)-2-[2-[2-[3-(diethylamino)propylamino]-8-(2-fluoro-6-iodophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]ethylidene]-4-fluoro-5-methylhexa-3,5-dienoic acid
CID 163480235
2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-4-[2-methyl-3-[(2-methylpropylamino)methyl]phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 163541773
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631
3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-N-(2-methoxyethyl)-4-methylbenzamide;ethane
CID 143596914
N-tert-butyl-3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methylbenzamide;ethane
CID 143596864

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 143596900) is 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=CC(=C(C)C)c1nc(NCCN(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WABQPUXHKVETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-6-15(14(2)3)20-16-10-11-19(31)30(21-17(24)8-7-9-18(21)25)22(16)28-23(27-20)26-12-13-29(4)5/h6-11H,1,12-13H2,2-5H3,(H,26,27,28).
What are the key properties of 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-4-(4-methylpenta-1,3-dien-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143596900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).