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

C29H26N8O — CID 137312054

IUPAC3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)nc1
InChIInChI=1S/C29H26N8O/c1-2-6-32-25(5-1)24-17-31-18-27-22(24)13-26(34-27)28-23-12-20(15-33-29(23)36-35-28)19-11-21(16-30-14-19)38-10-9-37-7-3-4-8-37/h1-2,5-6,11-18,34H,3-4,7-10H2,(H,33,35,36)
InChIKeyJFLQXVFYCBGUQK-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.10
Rot. Bonds7

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

3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137312054) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137312054
Molecular FormulaC29H26N8O
Molecular Weight502.58 g/mol
Exact Mass502.22
IUPAC Name3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)nc1
InChIInChI=1S/C29H26N8O/c1-2-6-32-25(5-1)24-17-31-18-27-22(24)13-26(34-27)28-23-12-20(15-33-29(23)36-35-28)19-11-21(16-30-14-19)38-10-9-37-7-3-4-8-37/h1-2,5-6,11-18,34H,3-4,7-10H2,(H,33,35,36)
InChIKeyJFLQXVFYCBGUQK-UHFFFAOYSA-N
XLogP5.10
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145167
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137087635
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
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040687
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137102838
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137312087
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117043
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137112521
2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137040058
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137040247
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056958
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137041704

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 137312054) is 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is c1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)nc1.
What is the InChIKey of 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JFLQXVFYCBGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-2-6-32-25(5-1)24-17-31-18-27-22(24)13-26(34-27)28-23-12-20(15-33-29(23)36-35-28)19-11-21(16-30-14-19)38-10-9-37-7-3-4-8-37/h1-2,5-6,11-18,34H,3-4,7-10H2,(H,33,35,36).
What are the key properties of 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 502.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137312054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).