5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

C18H12N6 — CID 136932197

IUPAC5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cncc(-c2cnc3n[nH]c(-c4cc5ccncc5[nH]4)c3c2)c1
InChIInChI=1S/C18H12N6/c1-2-12(8-19-4-1)13-6-14-17(23-24-18(14)21-9-13)15-7-11-3-5-20-10-16(11)22-15/h1-10,22H,(H,21,23,24)
InChIKeyAQFFQZMEBFGJMW-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.56
Rot. Bonds2

About 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136932197) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136932197
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cncc(-c2cnc3n[nH]c(-c4cc5ccncc5[nH]4)c3c2)c1
InChIInChI=1S/C18H12N6/c1-2-12(8-19-4-1)13-6-14-17(23-24-18(14)21-9-13)15-7-11-3-5-20-10-16(11)22-15/h1-10,22H,(H,21,23,24)
InChIKeyAQFFQZMEBFGJMW-UHFFFAOYSA-N
XLogP3.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040180
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145247214
5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137039999
5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137041071
3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137280769
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145358
5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137040412
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137310785
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040349
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602
N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138627153

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 136932197) is 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cncc(-c2cnc3n[nH]c(-c4cc5ccncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AQFFQZMEBFGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-2-12(8-19-4-1)13-6-14-17(23-24-18(14)21-9-13)15-7-11-3-5-20-10-16(11)22-15/h1-10,22H,(H,21,23,24).
What are the key properties of 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 312.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136932197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).