8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid

C80H67N9O9 — CID 165056760

IUPAC8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4n3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12
InChIInChI=1S/2C27H23N3O3.C26H21N3O3/c2*1-16-12-13-23(33-18(3)19-9-5-4-6-10-19)24-20(27(31)32)15-21(28-25(16)24)26-17(2)22-11-7-8-14-30(22)29-26;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*4-15,18H,1-3H3,(H,31,32);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m100/s1
InChIKeyQOAJACNLOBSQJL-CHKZPOSQSA-N
MW1298.47 g/mol
LogP17.71
Rot. Bonds15

About 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid

8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 165056760) has the molecular formula C80H67N9O9 and a molecular weight of 1298.47 g/mol. Its IUPAC name is 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID165056760
Molecular FormulaC80H67N9O9
Molecular Weight1298.47 g/mol
Exact Mass1297.51
IUPAC Name8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4n3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12
InChIInChI=1S/2C27H23N3O3.C26H21N3O3/c2*1-16-12-13-23(33-18(3)19-9-5-4-6-10-19)24-20(27(31)32)15-21(28-25(16)24)26-17(2)22-11-7-8-14-30(22)29-26;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*4-15,18H,1-3H3,(H,31,32);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m100/s1
InChIKeyQOAJACNLOBSQJL-CHKZPOSQSA-N
XLogP17.71
TPSA230.16 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.47
LogP ≤ 517.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-4-(12-fluoro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-yl)-6-methylpyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 129901040
(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
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-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
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
2-(4-Carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
CID 58321420
(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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid (CID 165056760) is 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-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(-c3cc4ccccn4n3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3nn4ccccc4c3C)nc12.
What is the InChIKey of 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is QOAJACNLOBSQJL-CHKZPOSQSA-N. The full InChI is InChI=1S/2C27H23N3O3.C26H21N3O3/c2*1-16-12-13-23(33-18(3)19-9-5-4-6-10-19)24-20(27(31)32)15-21(28-25(16)24)26-17(2)22-11-7-8-14-30(22)29-26;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*4-15,18H,1-3H3,(H,31,32);3-15,17H,1-2H3,(H,30,31)/t2*18-;17-/m100/s1.
What are the key properties of 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid?
8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 1298.47 g/mol, XLogP of 17.71, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-5-[(1S)-1-phenylethoxy]-2-pyrazolo[1,5-a]pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 165056760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).