7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine

C22H24FN5 — CID 71130632

IUPAC7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=C(C)N2CCN=C12
InChIInChI=1S/C22H24FN5/c1-3-6-17-19(26-15(2)28-12-11-25-22(17)28)13-16-7-5-10-24-20(14-16)18-8-4-9-21(23)27-18/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3
InChIKeyFWTASWSSJLWVHU-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.44
Rot. Bonds5

About 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine

7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 71130632) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID71130632
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=C(C)N2CCN=C12
InChIInChI=1S/C22H24FN5/c1-3-6-17-19(26-15(2)28-12-11-25-22(17)28)13-16-7-5-10-24-20(14-16)18-8-4-9-21(23)27-18/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3
InChIKeyFWTASWSSJLWVHU-UHFFFAOYSA-N
XLogP4.44
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 71130632) is 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=C(C)N2CCN=C12.
What is the InChIKey of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is FWTASWSSJLWVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-3-6-17-19(26-15(2)28-12-11-25-22(17)28)13-16-7-5-10-24-20(14-16)18-8-4-9-21(23)27-18/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3.
What are the key properties of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 377.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-5-methyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 71130632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).