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

C22H24FN5O — CID 50924271

IUPAC5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C4CCNCC4)c(F)c3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C22H24FN5O/c1-28-12-25-19-11-18(27-21(20(19)22(28)29)26-15-3-4-15)14-2-5-16(17(23)10-14)13-6-8-24-9-7-13/h2,5,10-13,15,24H,3-4,6-9H2,1H3,(H,26,27)
InChIKeyFCUHYSIFSFRYNN-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.18
Rot. Bonds4

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

5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924271) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924271
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C4CCNCC4)c(F)c3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C22H24FN5O/c1-28-12-25-19-11-18(27-21(20(19)22(28)29)26-15-3-4-15)14-2-5-16(17(23)10-14)13-6-8-24-9-7-13/h2,5,10-13,15,24H,3-4,6-9H2,1H3,(H,26,27)
InChIKeyFCUHYSIFSFRYNN-UHFFFAOYSA-N
XLogP3.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924271) is 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C4CCNCC4)c(F)c3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FCUHYSIFSFRYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-28-12-25-19-11-18(27-21(20(19)22(28)29)26-15-3-4-15)14-2-5-16(17(23)10-14)13-6-8-24-9-7-13/h2,5,10-13,15,24H,3-4,6-9H2,1H3,(H,26,27).
What are the key properties of 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).