2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C28H26N4O — CID 70934439

IUPAC2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C)cc2C2=CC=CC2C)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C28H26N4O/c1-4-32-26-20(17-29-28(31-26)30-21-10-6-5-7-11-21)16-25(27(32)33)23-14-13-18(2)15-24(23)22-12-8-9-19(22)3/h5-17,19H,4H2,1-3H3,(H,29,30,31)
InChIKeyLYUIZZFGYOYYNM-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.12
Rot. Bonds5

About 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934439) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934439
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C)cc2C2=CC=CC2C)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C28H26N4O/c1-4-32-26-20(17-29-28(31-26)30-21-10-6-5-7-11-21)16-25(27(32)33)23-14-13-18(2)15-24(23)22-12-8-9-19(22)3/h5-17,19H,4H2,1-3H3,(H,29,30,31)
InChIKeyLYUIZZFGYOYYNM-UHFFFAOYSA-N
XLogP6.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 70934439) is 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C)cc2C2=CC=CC2C)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LYUIZZFGYOYYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-4-32-26-20(17-29-28(31-26)30-21-10-6-5-7-11-21)16-25(27(32)33)23-14-13-18(2)15-24(23)22-12-8-9-19(22)3/h5-17,19H,4H2,1-3H3,(H,29,30,31).
What are the key properties of 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.54 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).