cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

C27H22N8O — CID 137214782

IUPACcyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C27H22N8O/c36-27(15-4-5-15)31-18-11-17(13-28-14-18)16-6-7-22-20(12-16)24(35-34-22)26-32-23-19(8-10-30-25(23)33-26)21-3-1-2-9-29-21/h1-3,6-15,27,31,36H,4-5H2,(H,34,35)(H,30,32,33)
InChIKeyLCIQJFUOJGGAGR-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.77
Rot. Bonds6

About cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137214782) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

Compound Namecyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
PubChem CID137214782
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Namecyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1)C1CC1
InChIInChI=1S/C27H22N8O/c36-27(15-4-5-15)31-18-11-17(13-28-14-18)16-6-7-22-20(12-16)24(35-34-22)26-32-23-19(8-10-30-25(23)33-26)21-3-1-2-9-29-21/h1-3,6-15,27,31,36H,4-5H2,(H,34,35)(H,30,32,33)
InChIKeyLCIQJFUOJGGAGR-UHFFFAOYSA-N
XLogP4.77
TPSA128.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145036254
7-pyridin-2-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937783
N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137042491
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137133903
N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055536
cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137292851
cyclobutyl-[[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137281353
1-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 137316581
3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137286954
5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134069
N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509111
cyclohexyl-[[5-[4-fluoro-3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
CID 138612371

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The IUPAC name of cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (CID 137214782) is cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.
What is the SMILES notation for cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The canonical SMILES for cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is OC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccccn6)c5[nH]4)c3c2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The InChIKey is LCIQJFUOJGGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c36-27(15-4-5-15)31-18-11-17(13-28-14-18)16-6-7-22-20(12-16)24(35-34-22)26-32-23-19(8-10-30-25(23)33-26)21-3-1-2-9-29-21/h1-3,6-15,27,31,36H,4-5H2,(H,34,35)(H,30,32,33).
What are the key properties of cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 474.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137214782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).