3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one

C21H18FN5O — CID 11610472

IUPAC3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(Cn2c(/C=C/c3ccc(F)cc3)nc3ncccc3c2=O)nn1C
InChIInChI=1S/C21H18FN5O/c1-14-12-17(25-26(14)2)13-27-19(10-7-15-5-8-16(22)9-6-15)24-20-18(21(27)28)4-3-11-23-20/h3-12H,13H2,1-2H3/b10-7+
InChIKeyUQOXWJODARRXCA-JXMROGBWSA-N
MW375.41 g/mol
LogP3.19
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one

3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 11610472) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID11610472
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(Cn2c(/C=C/c3ccc(F)cc3)nc3ncccc3c2=O)nn1C
InChIInChI=1S/C21H18FN5O/c1-14-12-17(25-26(14)2)13-27-19(10-7-15-5-8-16(22)9-6-15)24-20-18(21(27)28)4-3-11-23-20/h3-12H,13H2,1-2H3/b10-7+
InChIKeyUQOXWJODARRXCA-JXMROGBWSA-N
XLogP3.19
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one (CID 11610472) is 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one is Cc1cc(Cn2c(/C=C/c3ccc(F)cc3)nc3ncccc3c2=O)nn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UQOXWJODARRXCA-JXMROGBWSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14-12-17(25-26(14)2)13-27-19(10-7-15-5-8-16(22)9-6-15)24-20-18(21(27)28)4-3-11-23-20/h3-12H,13H2,1-2H3/b10-7+.
What are the key properties of 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?
3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 375.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).