ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine

C47H36N16 — CID 145033514

IUPACethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESCC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)c1.c1cc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)ccn1
InChIInChI=1S/C23H16N8.C22H14N8.C2H6/c1-13-8-15(11-25-10-13)18-9-16-19(12-27-18)30-31-21(16)23-28-17-4-7-26-20(22(17)29-23)14-2-5-24-6-3-14;1-6-23-7-2-13(1)17-11-15-18(12-26-17)29-30-20(15)22-27-16-5-10-25-19(21(16)28-22)14-3-8-24-9-4-14;1-2/h2-12H,1H3,(H,28,29)(H,30,31);1-12H,(H,27,28)(H,29,30);1-2H3
InChIKeyZXGOFJVPCAOENO-UHFFFAOYSA-N
MW824.92 g/mol
LogP9.38
Rot. Bonds6

About ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine

ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 145033514) has the molecular formula C47H36N16 and a molecular weight of 824.92 g/mol. Its IUPAC name is ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID145033514
Molecular FormulaC47H36N16
Molecular Weight824.92 g/mol
Exact Mass824.33
IUPAC Nameethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESCC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)c1.c1cc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)ccn1
InChIInChI=1S/C23H16N8.C22H14N8.C2H6/c1-13-8-15(11-25-10-13)18-9-16-19(12-27-18)30-31-21(16)23-28-17-4-7-26-20(22(17)29-23)14-2-5-24-6-3-14;1-6-23-7-2-13(1)17-11-15-18(12-26-17)29-30-20(15)22-27-16-5-10-25-19(21(16)28-22)14-3-8-24-9-4-14;1-2/h2-12H,1H3,(H,28,29)(H,30,31);1-12H,(H,27,28)(H,29,30);1-2H3
InChIKeyZXGOFJVPCAOENO-UHFFFAOYSA-N
XLogP9.38
TPSA217.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.92
LogP ≤ 59.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

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CID 49836427
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
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3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
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5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
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CID 71253734
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Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine (CID 145033514) is ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine is CC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)c1.c1cc(-c2cc3c(-c4nc5c(-c6ccncc6)nccc5[nH]4)n[nH]c3cn2)ccn1.
What is the InChIKey of ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is ZXGOFJVPCAOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8.C22H14N8.C2H6/c1-13-8-15(11-25-10-13)18-9-16-19(12-27-18)30-31-21(16)23-28-17-4-7-26-20(22(17)29-23)14-2-5-24-6-3-14;1-6-23-7-2-13(1)17-11-15-18(12-26-17)29-30-20(15)22-27-16-5-10-25-19(21(16)28-22)14-3-8-24-9-4-14;1-2/h2-12H,1H3,(H,28,29)(H,30,31);1-12H,(H,27,28)(H,29,30);1-2H3.
What are the key properties of ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine?
ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 824.92 g/mol, XLogP of 9.38, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine;4-pyridin-4-yl-2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145033514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).