3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

C22H22ClN5O2 — CID 78161998

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)C(C)CN1C
InChIInChI=1S/C22H22ClN5O2/c1-13-11-28(14(2)10-26(13)3)19-7-6-15-9-16(22(29)30-21(15)25-19)18-12-27-8-4-5-17(23)20(27)24-18/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRWTINPPSNQBARR-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.68
Rot. Bonds2

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 78161998) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID78161998
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)C(C)CN1C
InChIInChI=1S/C22H22ClN5O2/c1-13-11-28(14(2)10-26(13)3)19-7-6-15-9-16(22(29)30-21(15)25-19)18-12-27-8-4-5-17(23)20(27)24-18/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRWTINPPSNQBARR-UHFFFAOYSA-N
XLogP3.68
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one
CID 89656757
CID 89657166
CID 89657166
phenyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656305
2-Ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester
CID 2998538
6-Chloro-3-imidazo[1,2-a]pyridin-2-yl-2h-chromen-2-one
CID 395976
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 395977
3-{6,8-Dichloroimidazo[1,2-A]pyridin-2-YL}-2H-chromen-2-one
CID 4277610
6-chloro-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 395978
6-Chloro-3-{6-methylimidazo[1,2-A]pyridin-2-YL}-2H-chromen-2-one
CID 3416956
6-Chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 4277611
3-(6,8-Dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one
CID 156601420

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (CID 78161998) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is CC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)C(C)CN1C.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is RWTINPPSNQBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-13-11-28(14(2)10-26(13)3)19-7-6-15-9-16(22(29)30-21(15)25-19)18-12-27-8-4-5-17(23)20(27)24-18/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 423.90 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(2,4,5-trimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 78161998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).