5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C22H19FN6O — CID 54483392

IUPAC5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccnc3C3CNCCO3)cc(-c3cccc(F)c3)c12
InChIInChI=1S/C22H19FN6O/c23-14-4-1-3-13(9-14)16-10-17(29-22-19(16)21(24)27-12-28-22)15-5-2-6-26-20(15)18-11-25-7-8-30-18/h1-6,9-10,12,18,25H,7-8,11H2,(H2,24,27,28,29)
InChIKeyXQPDUPYMPQWIJA-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.14
Rot. Bonds3

About 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54483392) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54483392
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccnc3C3CNCCO3)cc(-c3cccc(F)c3)c12
InChIInChI=1S/C22H19FN6O/c23-14-4-1-3-13(9-14)16-10-17(29-22-19(16)21(24)27-12-28-22)15-5-2-6-26-20(15)18-11-25-7-8-30-18/h1-6,9-10,12,18,25H,7-8,11H2,(H2,24,27,28,29)
InChIKeyXQPDUPYMPQWIJA-UHFFFAOYSA-N
XLogP3.14
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54483392) is 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3cccnc3C3CNCCO3)cc(-c3cccc(F)c3)c12.
What is the InChIKey of 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XQPDUPYMPQWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-14-4-1-3-13(9-14)16-10-17(29-22-19(16)21(24)27-12-28-22)15-5-2-6-26-20(15)18-11-25-7-8-30-18/h1-6,9-10,12,18,25H,7-8,11H2,(H2,24,27,28,29).
What are the key properties of 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 402.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54483392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).