2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C22H27FN5OP — CID 135158748

IUPAC2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCC1=CN2C=C(C3=CC(=O)N4C=C(N5CCCN(C)CC5)C=CC4P3)C=C(F)C2N1
InChIInChI=1S/C22H27FN5OP/c1-15-12-27-13-16(10-18(23)22(27)24-15)19-11-20(29)28-14-17(4-5-21(28)30-19)26-7-3-6-25(2)8-9-26/h4-5,10-14,21-22,24,30H,3,6-9H2,1-2H3
InChIKeyCGUWMMKSBZWUMA-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.61
Rot. Bonds2

About 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 135158748) has the molecular formula C22H27FN5OP and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

Compound Name2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
PubChem CID135158748
Molecular FormulaC22H27FN5OP
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCC1=CN2C=C(C3=CC(=O)N4C=C(N5CCCN(C)CC5)C=CC4P3)C=C(F)C2N1
InChIInChI=1S/C22H27FN5OP/c1-15-12-27-13-16(10-18(23)22(27)24-15)19-11-20(29)28-14-17(4-5-21(28)30-19)26-7-3-6-25(2)8-9-26/h4-5,10-14,21-22,24,30H,3,6-9H2,1-2H3
InChIKeyCGUWMMKSBZWUMA-UHFFFAOYSA-N
XLogP2.61
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,8-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 169828840

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The IUPAC name of 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 135158748) is 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.
What is the SMILES notation for 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The canonical SMILES for 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is CC1=CN2C=C(C3=CC(=O)N4C=C(N5CCCN(C)CC5)C=CC4P3)C=C(F)C2N1.
What is the InChIKey of 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The InChIKey is CGUWMMKSBZWUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN5OP/c1-15-12-27-13-16(10-18(23)22(27)24-15)19-11-20(29)28-14-17(4-5-21(28)30-19)26-7-3-6-25(2)8-9-26/h4-5,10-14,21-22,24,30H,3,6-9H2,1-2H3.
What are the key properties of 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 427.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 135158748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).