2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid

C80H65N7O9 — CID 164974583

IUPAC2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4n3)nc12
InChIInChI=1S/2C27H22N2O3.C26H21N3O3/c2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-23(32-17(2)18-8-4-3-5-9-18)24-20(26(30)31)15-21(27-25(16)24)22-14-19-10-6-7-13-29(19)28-22/h2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m101/s1
InChIKeyDPAMNTCREFDMJZ-MFVHQULNSA-N
MW1268.44 g/mol
LogP18.30
Rot. Bonds15

About 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid

2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 164974583) has the molecular formula C80H65N7O9 and a molecular weight of 1268.44 g/mol. Its IUPAC name is 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID164974583
Molecular FormulaC80H65N7O9
Molecular Weight1268.44 g/mol
Exact Mass1267.48
IUPAC Name2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4n3)nc12
InChIInChI=1S/2C27H22N2O3.C26H21N3O3/c2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-23(32-17(2)18-8-4-3-5-9-18)24-20(26(30)31)15-21(27-25(16)24)22-14-19-10-6-7-13-29(19)28-22/h2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m101/s1
InChIKeyDPAMNTCREFDMJZ-MFVHQULNSA-N
XLogP18.30
TPSA204.38 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.44
LogP ≤ 518.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid with MolForge

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Related Compounds

(2S)-2-(tert-Butoxy)-2-(4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-((4-fluoro-3-methylbenzyl)carbamoyl)-6-methylpyrazolo[1,5-a]pyridin-5-yl)acetic acid
CID 86301678
2-[2-[(4-Fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123567015
22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
2-[2-[5-[(4-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 126627496
2-[2-[(4-Fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 126627500
6-[1-(cyclopropylmethyl)-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3,4-dihydro-2H-quinolin-1-yl)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(N-ethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-ethyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-(2-hydroxyethyl)-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 161214746
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162199239
2-(4-Carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)
CID 58321392
(2S)-2-[6-methyl-2-[3-(2-methylphenyl)phenyl]-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 86302146
(2S)-2-[6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-(3-pyridin-3-ylphenyl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 86302147
5-((S)-1-(tert-butoxy)-2-methoxy-2-oxoethyl)-4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-6-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 117603311
2-[6-Methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-(3-pyridin-3-ylphenyl)pyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123418121

Frequently Asked Questions

What is the IUPAC name of 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid (CID 164974583) is 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid is Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4n3)nc12.
What is the InChIKey of 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is DPAMNTCREFDMJZ-MFVHQULNSA-N. The full InChI is InChI=1S/2C27H22N2O3.C26H21N3O3/c2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-23(32-17(2)18-8-4-3-5-9-18)24-20(26(30)31)15-21(27-25(16)24)22-14-19-10-6-7-13-29(19)28-22/h2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m101/s1.
What are the key properties of 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 1268.44 g/mol, XLogP of 18.30, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1R)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 164974583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).