6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C34H41FN6O2 — CID 70934196

IUPAC6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2ccc(C3CCCCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21
InChIInChI=1S/C34H41FN6O2/c1-39(2)15-16-41-32-26(19-29(33(41)42)28-14-11-25(20-30(28)35)23-7-5-4-6-8-23)21-36-34(38-32)37-27-12-9-24(10-13-27)31-22-40(3)17-18-43-31/h9-14,19-21,23,31H,4-8,15-18,22H2,1-3H3,(H,36,37,38)
InChIKeyHUUNVUVUEMYDEU-UHFFFAOYSA-N
MW584.74 g/mol
LogP5.95
Rot. Bonds8

About 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934196) has the molecular formula C34H41FN6O2 and a molecular weight of 584.74 g/mol. Its IUPAC name is 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934196
Molecular FormulaC34H41FN6O2
Molecular Weight584.74 g/mol
Exact Mass584.33
IUPAC Name6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCn1c(=O)c(-c2ccc(C3CCCCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21
InChIInChI=1S/C34H41FN6O2/c1-39(2)15-16-41-32-26(19-29(33(41)42)28-14-11-25(20-30(28)35)23-7-5-4-6-8-23)21-36-34(38-32)37-27-12-9-24(10-13-27)31-22-40(3)17-18-43-31/h9-14,19-21,23,31H,4-8,15-18,22H2,1-3H3,(H,36,37,38)
InChIKeyHUUNVUVUEMYDEU-UHFFFAOYSA-N
XLogP5.95
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.74
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 70934196) is 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2ccc(C3CCCCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.
What is the InChIKey of 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HUUNVUVUEMYDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN6O2/c1-39(2)15-16-41-32-26(19-29(33(41)42)28-14-11-25(20-30(28)35)23-7-5-4-6-8-23)21-36-34(38-32)37-27-12-9-24(10-13-27)31-22-40(3)17-18-43-31/h9-14,19-21,23,31H,4-8,15-18,22H2,1-3H3,(H,36,37,38).
What are the key properties of 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 584.74 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).