7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile

C19H20FN7 — CID 70339066

IUPAC7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile
SMILESCCCC1=C(Cn2ccnc2C2=NC(F)=CCC2)N=CN2C1=NCC2C#N
InChIInChI=1S/C19H20FN7/c1-2-4-14-16(24-12-27-13(9-21)10-23-18(14)27)11-26-8-7-22-19(26)15-5-3-6-17(20)25-15/h6-8,12-13H,2-5,10-11H2,1H3
InChIKeyFHMOQURIQHRZSY-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.98
Rot. Bonds5

About 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile

7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile (PubChem CID 70339066) has the molecular formula C19H20FN7 and a molecular weight of 365.42 g/mol. Its IUPAC name is 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile
PubChem CID70339066
Molecular FormulaC19H20FN7
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile
SMILESCCCC1=C(Cn2ccnc2C2=NC(F)=CCC2)N=CN2C1=NCC2C#N
InChIInChI=1S/C19H20FN7/c1-2-4-14-16(24-12-27-13(9-21)10-23-18(14)27)11-26-8-7-22-19(26)15-5-3-6-17(20)25-15/h6-8,12-13H,2-5,10-11H2,1H3
InChIKeyFHMOQURIQHRZSY-UHFFFAOYSA-N
XLogP2.98
TPSA81.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile?
The IUPAC name of 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile (CID 70339066) is 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile is CCCC1=C(Cn2ccnc2C2=NC(F)=CCC2)N=CN2C1=NCC2C#N.
What is the InChIKey of 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile?
The InChIKey is FHMOQURIQHRZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7/c1-2-4-14-16(24-12-27-13(9-21)10-23-18(14)27)11-26-8-7-22-19(26)15-5-3-6-17(20)25-15/h6-8,12-13H,2-5,10-11H2,1H3.
What are the key properties of 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile?
7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile has a molecular weight of 365.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(6-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70339066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).