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

C27H32FN5O — CID 123798658

IUPAC3-(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
SMILESCc1cn2cc(C3=CC(O)N4C=C(N5CCN(C6CC6)CC5)C=CC4=CCC3C)cc(F)c2n1
InChIInChI=1S/C27H32FN5O/c1-18-3-4-22-7-8-23(31-11-9-30(10-12-31)21-5-6-21)17-33(22)26(34)14-24(18)20-13-25(28)27-29-19(2)15-32(27)16-20/h4,7-8,13-18,21,26,34H,3,5-6,9-12H2,1-2H3
InChIKeyUSNNVYLBIOBIKM-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.90
Rot. Bonds3

About 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

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 (PubChem CID 123798658) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID123798658
Molecular FormulaC27H32FN5O
Molecular Weight461.59 g/mol
Exact Mass461.26
IUPAC Name3-(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
SMILESCc1cn2cc(C3=CC(O)N4C=C(N5CCN(C6CC6)CC5)C=CC4=CCC3C)cc(F)c2n1
InChIInChI=1S/C27H32FN5O/c1-18-3-4-22-7-8-23(31-11-9-30(10-12-31)21-5-6-21)17-33(22)26(34)14-24(18)20-13-25(28)27-29-19(2)15-32(27)16-20/h4,7-8,13-18,21,26,34H,3,5-6,9-12H2,1-2H3
InChIKeyUSNNVYLBIOBIKM-UHFFFAOYSA-N
XLogP3.90
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123618205
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydropyridazino[1,6-a]azocin-10-one
CID 123794412
2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
CID 153382185
8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123964660
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-(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
(3R)-1-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)naphthalen-2-yl]-N-methylpyrrolidin-3-amine
CID 168978643
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
(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
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
6-(4,5-dimethyl-2-pyridinyl)-8-fluoro-2-methylimidazo[1,2-a]pyridine
CID 153383007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(C3=CC(O)N4C=C(N5CCN(C6CC6)CC5)C=CC4=CCC3C)cc(F)c2n1.
What is the InChIKey of 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?
The InChIKey is USNNVYLBIOBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O/c1-18-3-4-22-7-8-23(31-11-9-30(10-12-31)21-5-6-21)17-33(22)26(34)14-24(18)20-13-25(28)27-29-19(2)15-32(27)16-20/h4,7-8,13-18,21,26,34H,3,5-6,9-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 461.59 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).