2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H24FN7O — CID 50942845

IUPAC2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3ccc(F)nc3)nc(NCCc3ccccn3)c2C1
InChIInChI=1S/C26H24FN7O/c27-23-10-9-18(16-30-23)24-32-22-12-15-34(26(35)31-20-7-2-1-3-8-20)17-21(22)25(33-24)29-14-11-19-6-4-5-13-28-19/h1-10,13,16H,11-12,14-15,17H2,(H,31,35)(H,29,32,33)
InChIKeyHOJOCVQCPICPGE-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.32
Rot. Bonds6

About 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 50942845) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID50942845
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3ccc(F)nc3)nc(NCCc3ccccn3)c2C1
InChIInChI=1S/C26H24FN7O/c27-23-10-9-18(16-30-23)24-32-22-12-15-34(26(35)31-20-7-2-1-3-8-20)17-21(22)25(33-24)29-14-11-19-6-4-5-13-28-19/h1-10,13,16H,11-12,14-15,17H2,(H,31,35)(H,29,32,33)
InChIKeyHOJOCVQCPICPGE-UHFFFAOYSA-N
XLogP4.32
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 50942845) is 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)N1CCc2nc(-c3ccc(F)nc3)nc(NCCc3ccccn3)c2C1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HOJOCVQCPICPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c27-23-10-9-18(16-30-23)24-32-22-12-15-34(26(35)31-20-7-2-1-3-8-20)17-21(22)25(33-24)29-14-11-19-6-4-5-13-28-19/h1-10,13,16H,11-12,14-15,17H2,(H,31,35)(H,29,32,33).
What are the key properties of 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)-N-phenyl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 50942845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).