7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C22H24N5O2P — CID 144885230

IUPAC7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCc1cn2cc(C3=CC(=O)N4C=C(N5CCN6CCC6C5)C=CC4P3)cc(O)c2n1
InChIInChI=1S/C22H24N5O2P/c1-14-10-26-11-15(8-18(28)22(26)23-14)19-9-20(29)27-13-16(2-3-21(27)30-19)25-7-6-24-5-4-17(24)12-25/h2-3,8-11,13,17,21,28,30H,4-7,12H2,1H3
InChIKeyLXMOXAPRZHQQTB-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.34
Rot. Bonds2

About 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 144885230) has the molecular formula C22H24N5O2P and a molecular weight of 421.44 g/mol. Its IUPAC name is 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

Compound Name7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
PubChem CID144885230
Molecular FormulaC22H24N5O2P
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCc1cn2cc(C3=CC(=O)N4C=C(N5CCN6CCC6C5)C=CC4P3)cc(O)c2n1
InChIInChI=1S/C22H24N5O2P/c1-14-10-26-11-15(8-18(28)22(26)23-14)19-9-20(29)27-13-16(2-3-21(27)30-19)25-7-6-24-5-4-17(24)12-25/h2-3,8-11,13,17,21,28,30H,4-7,12H2,1H3
InChIKeyLXMOXAPRZHQQTB-UHFFFAOYSA-N
XLogP2.34
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one with MolForge

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Related Compounds

7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885515
7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885385
2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 142362082
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 145199983
ethane;2-(2-methyl-1,3-benzothiazol-5-yl)-7-(4-propylpiperazin-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885392
(E)-1-[5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-methylidene-1-pyridinyl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one
CID 142362033
3-(4-cyclopropylpiperazin-1-yl)-8-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methyl-9,10-dihydro-6H-pyrido[1,2-a]azocin-6-ol
CID 123798658
(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane
CID 144885288
2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one
CID 135158783
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
CID 123545740
8-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123883919
(E)-1-[5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-2H-pyridin-1-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one
CID 145200093

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The IUPAC name of 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 144885230) is 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.
What is the SMILES notation for 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The canonical SMILES for 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is Cc1cn2cc(C3=CC(=O)N4C=C(N5CCN6CCC6C5)C=CC4P3)cc(O)c2n1.
What is the InChIKey of 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The InChIKey is LXMOXAPRZHQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N5O2P/c1-14-10-26-11-15(8-18(28)22(26)23-14)19-9-20(29)27-13-16(2-3-21(27)30-19)25-7-6-24-5-4-17(24)12-25/h2-3,8-11,13,17,21,28,30H,4-7,12H2,1H3.
What are the key properties of 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 421.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 144885230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).