3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one

C23H19N5O3 — CID 18147627

IUPAC3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C2=NN(C(=O)Cn3cnc4ncccc4c3=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H19N5O3/c1-15-6-8-16(9-7-15)18-12-19(20-5-3-11-31-20)28(26-18)21(29)13-27-14-25-22-17(23(27)30)4-2-10-24-22/h2-11,14,19H,12-13H2,1H3
InChIKeyBWLDORMYUQTKNG-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one

3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 18147627) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID18147627
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C2=NN(C(=O)Cn3cnc4ncccc4c3=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H19N5O3/c1-15-6-8-16(9-7-15)18-12-19(20-5-3-11-31-20)28(26-18)21(29)13-27-14-25-22-17(23(27)30)4-2-10-24-22/h2-11,14,19H,12-13H2,1H3
InChIKeyBWLDORMYUQTKNG-UHFFFAOYSA-N
XLogP3.07
TPSA93.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one
CID 41074504
2-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 7960044
2-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoquinolin-1-one
CID 41131559
3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 45029538
1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-nitropyridin-2-one
CID 7890236
7-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40919725
1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 8530671
5-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 3146335
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528723
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanylethanone
CID 166182196
3-[2-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 40918751
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]azanium
CID 9433382

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one (CID 18147627) is 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(C2=NN(C(=O)Cn3cnc4ncccc4c3=O)C(c3ccco3)C2)cc1.
What is the InChIKey of 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BWLDORMYUQTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-15-6-8-16(9-7-15)18-12-19(20-5-3-11-31-20)28(26-18)21(29)13-27-14-25-22-17(23(27)30)4-2-10-24-22/h2-11,14,19H,12-13H2,1H3.
What are the key properties of 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 413.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18147627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).