2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one

C23H28N4O — CID 18374892

IUPAC2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C23H28N4O/c1-3-16(2)17-9-12-20(13-10-17)27-21(28)14-11-18-15-24-23(26-22(18)27)25-19-7-5-4-6-8-19/h4-8,11,14-17,20H,3,9-10,12-13H2,1-2H3,(H,24,25,26)
InChIKeyLLPCQAPFINNEOA-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.31
Rot. Bonds5

About 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374892) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374892
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C23H28N4O/c1-3-16(2)17-9-12-20(13-10-17)27-21(28)14-11-18-15-24-23(26-22(18)27)25-19-7-5-4-6-8-19/h4-8,11,14-17,20H,3,9-10,12-13H2,1-2H3,(H,24,25,26)
InChIKeyLLPCQAPFINNEOA-UHFFFAOYSA-N
XLogP5.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one (CID 18374892) is 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one is CCC(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1.
What is the InChIKey of 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LLPCQAPFINNEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-16(2)17-9-12-20(13-10-17)27-21(28)14-11-18-15-24-23(26-22(18)27)25-19-7-5-4-6-8-19/h4-8,11,14-17,20H,3,9-10,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).