2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

C52H50N8O5 — CID 162002224

IUPAC2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
SMILESC1CC2(CCOC2)CN1.O=C(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.O=C(c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1)N1CCC2(CCOC2)C1
InChIInChI=1S/C26H24N4O2.C19H13N3O2.C7H13NO/c31-25(30-11-9-26(16-30)10-12-32-17-26)22-8-4-7-21(28-22)20-13-19-14-23(29-24(19)27-15-20)18-5-2-1-3-6-18;23-19(24)16-8-4-7-15(21-16)14-9-13-10-17(22-18(13)20-11-14)12-5-2-1-3-6-12;1-3-8-5-7(1)2-4-9-6-7/h1-8,13-15H,9-12,16-17H2,(H,27,29);1-11H,(H,20,22)(H,23,24);8H,1-6H2
InChIKeyYSJCRIFMAZMKCC-UHFFFAOYSA-N
MW867.02 g/mol
LogP8.92
Rot. Bonds6

About 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (PubChem CID 162002224) has the molecular formula C52H50N8O5 and a molecular weight of 867.02 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
PubChem CID162002224
Molecular FormulaC52H50N8O5
Molecular Weight867.02 g/mol
Exact Mass866.39
IUPAC Name2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
SMILESC1CC2(CCOC2)CN1.O=C(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.O=C(c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1)N1CCC2(CCOC2)C1
InChIInChI=1S/C26H24N4O2.C19H13N3O2.C7H13NO/c31-25(30-11-9-26(16-30)10-12-32-17-26)22-8-4-7-21(28-22)20-13-19-14-23(29-24(19)27-15-20)18-5-2-1-3-6-18;23-19(24)16-8-4-7-15(21-16)14-9-13-10-17(22-18(13)20-11-14)12-5-2-1-3-6-12;1-3-8-5-7(1)2-4-9-6-7/h1-8,13-15H,9-12,16-17H2,(H,27,29);1-11H,(H,20,22)(H,23,24);8H,1-6H2
InChIKeyYSJCRIFMAZMKCC-UHFFFAOYSA-N
XLogP8.92
TPSA171.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.02
LogP ≤ 58.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[[2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]-3-phenylpropanoic acid
CID 142462928
1-[(2S,6R)-2,6-dimethyl-4-[6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]piperazin-1-yl]ethanone;ethyl 6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxylate;6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidine-4-carboxylic acid;(2S)-2-[[6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 158782225
N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 67376441
2-[[5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 67376989
2-[[5-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 67377182
2-[[5-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-4-heptyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 67377383
4-hexyl-2-[[5-(1-oxo-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 67379399
N-[3-(hydroxymethyl)-4-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 72201778
N-[3-(hydroxymethyl)-4-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]isoindole-2-carboxamide
CID 90008776
5-[5-methyl-2-(pyridin-4-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 91073298
[5-[[4-[5-[2-[[2-[hydroxy-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-indol-5-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 123886286
2-(1H-indol-6-yl)-3-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethynyl]benzoic acid;2-(1H-indol-6-yl)-3-[2-[1-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethynyl]benzoic acid
CID 135360427

Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (CID 162002224) is 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is C1CC2(CCOC2)CN1.O=C(O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.O=C(c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1)N1CCC2(CCOC2)C1.
What is the InChIKey of 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
The InChIKey is YSJCRIFMAZMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2.C19H13N3O2.C7H13NO/c31-25(30-11-9-26(16-30)10-12-32-17-26)22-8-4-7-21(28-22)20-13-19-14-23(29-24(19)27-15-20)18-5-2-1-3-6-18;23-19(24)16-8-4-7-15(21-16)14-9-13-10-17(22-18(13)20-11-14)12-5-2-1-3-6-12;1-3-8-5-7(1)2-4-9-6-7/h1-8,13-15H,9-12,16-17H2,(H,27,29);1-11H,(H,20,22)(H,23,24);8H,1-6H2.
What are the key properties of 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?
2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid has a molecular weight of 867.02 g/mol, XLogP of 8.92, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-azaspiro[4.4]nonane;2-oxa-7-azaspiro[4.4]nonan-7-yl-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162002224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).