6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one

C20H22FN5O2 — CID 20626942

IUPAC6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCN3CCCC3)nc21
InChIInChI=1S/C20H22FN5O2/c1-25-18-14(12-17(19(25)27)28-16-7-3-2-6-15(16)21)13-23-20(24-18)22-8-11-26-9-4-5-10-26/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,22,23,24)
InChIKeyPTPPPIYAJUWKHL-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.77
Rot. Bonds6

About 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626942) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID20626942
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCN3CCCC3)nc21
InChIInChI=1S/C20H22FN5O2/c1-25-18-14(12-17(19(25)27)28-16-7-3-2-6-15(16)21)13-23-20(24-18)22-8-11-26-9-4-5-10-26/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,22,23,24)
InChIKeyPTPPPIYAJUWKHL-UHFFFAOYSA-N
XLogP2.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 20626942) is 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCN3CCCC3)nc21.
What is the InChIKey of 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PTPPPIYAJUWKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-25-18-14(12-17(19(25)27)28-16-7-3-2-6-15(16)21)13-23-20(24-18)22-8-11-26-9-4-5-10-26/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,22,23,24).
What are the key properties of 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 383.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).