5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C21H24FN5O — CID 66958735

IUPAC5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3CCNCC3)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24FN5O/c1-3-24-20-19-18(25-12-27(2)21(19)28)11-17(26-20)14-4-5-15(16(22)10-14)13-6-8-23-9-7-13/h4-5,10-13,23H,3,6-9H2,1-2H3,(H,24,26)
InChIKeyLGLZRXZYOXDYLF-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.03
Rot. Bonds4

About 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958735) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958735
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3CCNCC3)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24FN5O/c1-3-24-20-19-18(25-12-27(2)21(19)28)11-17(26-20)14-4-5-15(16(22)10-14)13-6-8-23-9-7-13/h4-5,10-13,23H,3,6-9H2,1-2H3,(H,24,26)
InChIKeyLGLZRXZYOXDYLF-UHFFFAOYSA-N
XLogP3.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958735) is 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C3CCNCC3)c(F)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LGLZRXZYOXDYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-3-24-20-19-18(25-12-27(2)21(19)28)11-17(26-20)14-4-5-15(16(22)10-14)13-6-8-23-9-7-13/h4-5,10-13,23H,3,6-9H2,1-2H3,(H,24,26).
What are the key properties of 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).