1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone

C19H19FN6O — CID 166187814

IUPAC1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCN(CC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H19FN6O/c1-25(19-17-18(22-11-21-17)23-12-24-19)10-16(27)26-8-6-14(7-9-26)13-2-4-15(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24)
InChIKeyPJKFPNMBLRRRLO-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone

1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone (PubChem CID 166187814) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
PubChem CID166187814
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCN(CC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H19FN6O/c1-25(19-17-18(22-11-21-17)23-12-24-19)10-16(27)26-8-6-14(7-9-26)13-2-4-15(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24)
InChIKeyPJKFPNMBLRRRLO-UHFFFAOYSA-N
XLogP2.24
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone (CID 166187814) is 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone is CN(CC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ncnc2nc[nH]c12.
What is the InChIKey of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The InChIKey is PJKFPNMBLRRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-25(19-17-18(22-11-21-17)23-12-24-19)10-16(27)26-8-6-14(7-9-26)13-2-4-15(20)5-3-13/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24).
What are the key properties of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone is sourced from PubChem (CID 166187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).