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

C43H32N18 — CID 145037800

IUPACethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
SMILESCC.c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)ccn1.c1cncc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnccn6)cc45)nc23)c1
InChIInChI=1S/C21H13N9.C20H13N9.C2H6/c1-2-12(7-22-3-1)14-8-24-10-18-19(14)28-21(27-18)20-13-6-15(17-9-23-4-5-25-17)26-11-16(13)29-30-20;1-3-21-4-2-11(1)14-8-22-9-17-18(14)27-20(26-17)19-13-5-15(12-6-24-25-7-12)23-10-16(13)28-29-19;1-2/h1-11H,(H,27,28)(H,29,30);1-10H,(H,24,25)(H,26,27)(H,28,29);1-2H3
InChIKeyXMTWBBCDFAHXMN-UHFFFAOYSA-N
MW800.86 g/mol
LogP7.79
Rot. Bonds6

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

ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145037800) has the molecular formula C43H32N18 and a molecular weight of 800.86 g/mol. Its IUPAC name is ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
PubChem CID145037800
Molecular FormulaC43H32N18
Molecular Weight800.86 g/mol
Exact Mass800.31
IUPAC Nameethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
SMILESCC.c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)ccn1.c1cncc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnccn6)cc45)nc23)c1
InChIInChI=1S/C21H13N9.C20H13N9.C2H6/c1-2-12(7-22-3-1)14-8-24-10-18-19(14)28-21(27-18)20-13-6-15(17-9-23-4-5-25-17)26-11-16(13)29-30-20;1-3-21-4-2-11(1)14-8-22-9-17-18(14)27-20(26-17)19-13-5-15(12-6-24-25-7-12)23-10-16(13)28-29-19;1-2/h1-11H,(H,27,28)(H,29,30);1-10H,(H,24,25)(H,26,27)(H,28,29);1-2H3
InChIKeyXMTWBBCDFAHXMN-UHFFFAOYSA-N
XLogP7.79
TPSA246.52 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.86
LogP ≤ 57.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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

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Related Compounds

2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
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
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
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253391
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine (CID 145037800) is ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine is CC.c1cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cn[nH]c6)cc45)nc23)ccn1.c1cncc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnccn6)cc45)nc23)c1.
What is the InChIKey of ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is XMTWBBCDFAHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N9.C20H13N9.C2H6/c1-2-12(7-22-3-1)14-8-24-10-18-19(14)28-21(27-18)20-13-6-15(17-9-23-4-5-25-17)26-11-16(13)29-30-20;1-3-21-4-2-11(1)14-8-22-9-17-18(14)27-20(26-17)19-13-5-15(12-6-24-25-7-12)23-10-16(13)28-29-19;1-2/h1-11H,(H,27,28)(H,29,30);1-10H,(H,24,25)(H,26,27)(H,28,29);1-2H3.
What are the key properties of ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 800.86 g/mol, XLogP of 7.79, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145037800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).