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

C23H26FN5 — CID 71133200

IUPAC7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=CN2C1=NC(C)C2C
InChIInChI=1S/C23H26FN5/c1-4-7-18-20(26-14-29-16(3)15(2)27-23(18)29)12-17-8-6-11-25-21(13-17)19-9-5-10-22(24)28-19/h5-6,9-11,13-16H,4,7-8,12H2,1-3H3
InChIKeyAXRPUVOJNMBGOY-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.83
Rot. Bonds5

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

7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 71133200) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID71133200
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=CN2C1=NC(C)C2C
InChIInChI=1S/C23H26FN5/c1-4-7-18-20(26-14-29-16(3)15(2)27-23(18)29)12-17-8-6-11-25-21(13-17)19-9-5-10-22(24)28-19/h5-6,9-11,13-16H,4,7-8,12H2,1-3H3
InChIKeyAXRPUVOJNMBGOY-UHFFFAOYSA-N
XLogP4.83
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.83
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]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 71133200) is 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-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]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CCCC1=C(CC2=CC(c3cccc(F)n3)=NC=CC2)N=CN2C1=NC(C)C2C.
What is the InChIKey of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is AXRPUVOJNMBGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-4-7-18-20(26-14-29-16(3)15(2)27-23(18)29)12-17-8-6-11-25-21(13-17)19-9-5-10-22(24)28-19/h5-6,9-11,13-16H,4,7-8,12H2,1-3H3.
What are the key properties of 7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-[[7-(6-fluoro-2-pyridinyl)-4H-azepin-5-yl]methyl]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 391.49 g/mol, XLogP of 4.83, 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]-2,3-dimethyl-8-propyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 71133200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).