2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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

C53H51N7O5 — CID 160511851

IUPAC2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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)C1CCC2(CCOC2)C1
InChIInChI=1S/C27H25N3O2.C19H13N3O2.C7H13NO/c31-25(19-9-10-27(15-19)11-12-32-17-27)23-8-4-7-22(29-23)21-13-20-14-24(30-26(20)28-16-21)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/h1-8,13-14,16,19H,9-12,15,17H2,(H,28,30);1-11H,(H,20,22)(H,23,24);8H,1-6H2
InChIKeyQTDNFGJCKUSEBS-UHFFFAOYSA-N
MW866.04 g/mol
LogP10.06
Rot. Bonds7

About 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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 160511851) has the molecular formula C53H51N7O5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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 CID160511851
Molecular FormulaC53H51N7O5
Molecular Weight866.04 g/mol
Exact Mass865.40
IUPAC Name2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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)C1CCC2(CCOC2)C1
InChIInChI=1S/C27H25N3O2.C19H13N3O2.C7H13NO/c31-25(19-9-10-27(15-19)11-12-32-17-27)23-8-4-7-22(29-23)21-13-20-14-24(30-26(20)28-16-21)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/h1-8,13-14,16,19H,9-12,15,17H2,(H,28,30);1-11H,(H,20,22)(H,23,24);8H,1-6H2
InChIKeyQTDNFGJCKUSEBS-UHFFFAOYSA-N
XLogP10.06
TPSA168.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.04
LogP ≤ 510.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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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Launch Full Analysis

Related Compounds

bis((diiodo-lambda3-iodanyl)-diiodo-lambda3-iodane);2,3-dimethylpyridine;bis(2-methyl-1H-pyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 157713414
sodium;ethanol;ethyl 4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylate;4-[2-(5,6,7,8-tetrahydroquinolin-7-yl)ethyl]-1H-pyrrole-2-carboxylic acid;hydroxide
CID 158773823
(E)-4-[5-(2-acetyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-[4-(2-hydroxybutan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methyl-4-propanoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one
CID 160499276
5-tert-butylpyridine-2-carboxylic acid;1-(5-tert-butyl-2-pyridinyl)-3-[2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propan-1-one;[2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanamine;iodide
CID 161260911
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
4-[[2-(oxolan-3-yl)-1-pyridin-3-ylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 167904130

Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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 160511851) is 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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)C1CCC2(CCOC2)C1.
What is the InChIKey of 2-oxa-7-azaspiro[4.4]nonane;2-oxaspiro[4.4]nonan-8-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 QTDNFGJCKUSEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2.C19H13N3O2.C7H13NO/c31-25(19-9-10-27(15-19)11-12-32-17-27)23-8-4-7-22(29-23)21-13-20-14-24(30-26(20)28-16-21)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/h1-8,13-14,16,19H,9-12,15,17H2,(H,28,30);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-oxaspiro[4.4]nonan-8-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-oxaspiro[4.4]nonan-8-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 866.04 g/mol, XLogP of 10.06, 7 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-oxaspiro[4.4]nonan-8-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 160511851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).