ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C45H34N16 — CID 145036093

IUPACethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCC.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)[nH]c23)ccn1.c1cncc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cnccn6)cc45)[nH]c23)c1
InChIInChI=1S/C22H14N8.C21H14N8.C2H6/c1-2-14(11-23-6-1)15-5-7-26-21-19(15)27-22(28-21)20-16-10-13(3-4-17(16)29-30-20)18-12-24-8-9-25-18;1-2-17-16(9-13(1)14-10-24-25-11-14)19(29-28-17)21-26-18-15(5-8-23-20(18)27-21)12-3-6-22-7-4-12;1-2/h1-12H,(H,29,30)(H,26,27,28);1-11H,(H,24,25)(H,28,29)(H,23,26,27);1-2H3
InChIKeyTYZPGFMNNOEDLX-UHFFFAOYSA-N
MW798.88 g/mol
LogP9.00
Rot. Bonds6

About ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145036093) has the molecular formula C45H34N16 and a molecular weight of 798.88 g/mol. Its IUPAC name is ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID145036093
Molecular FormulaC45H34N16
Molecular Weight798.88 g/mol
Exact Mass798.32
IUPAC Nameethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCC.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)[nH]c23)ccn1.c1cncc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cnccn6)cc45)[nH]c23)c1
InChIInChI=1S/C22H14N8.C21H14N8.C2H6/c1-2-14(11-23-6-1)15-5-7-26-21-19(15)27-22(28-21)20-16-10-13(3-4-17(16)29-30-20)18-12-24-8-9-25-18;1-2-17-16(9-13(1)14-10-24-25-11-14)19(29-28-17)21-26-18-15(5-8-23-20(18)27-21)12-3-6-22-7-4-12;1-2/h1-12H,(H,29,30)(H,26,27,28);1-11H,(H,24,25)(H,28,29)(H,23,26,27);1-2H3
InChIKeyTYZPGFMNNOEDLX-UHFFFAOYSA-N
XLogP9.00
TPSA220.74 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.88
LogP ≤ 59.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

Ag-24322
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CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
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7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 145036093) is ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is CC.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)[nH]c23)ccn1.c1cncc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cnccn6)cc45)[nH]c23)c1.
What is the InChIKey of ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is TYZPGFMNNOEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N8.C21H14N8.C2H6/c1-2-14(11-23-6-1)15-5-7-26-21-19(15)27-22(28-21)20-16-10-13(3-4-17(16)29-30-20)18-12-24-8-9-25-18;1-2-17-16(9-13(1)14-10-24-25-11-14)19(29-28-17)21-26-18-15(5-8-23-20(18)27-21)12-3-6-22-7-4-12;1-2/h1-12H,(H,29,30)(H,26,27,28);1-11H,(H,24,25)(H,28,29)(H,23,26,27);1-2H3.
What are the key properties of ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 798.88 g/mol, XLogP of 9.00, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145036093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).