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

C28H24N8 — CID 137111204

IUPAC3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C28H24N8/c1-2-9-36(8-1)17-18-10-20(15-30-13-18)24-12-23-26(16-32-24)34-35-27(23)25-11-22-21(5-7-31-28(22)33-25)19-4-3-6-29-14-19/h3-7,10-16H,1-2,8-9,17H2,(H,31,33)(H,34,35)
InChIKeyWKOOTJPUMAQZFO-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.22
Rot. Bonds5

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

3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111204) has the molecular formula C28H24N8 and a molecular weight of 472.56 g/mol. Its IUPAC name is 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137111204
Molecular FormulaC28H24N8
Molecular Weight472.56 g/mol
Exact Mass472.21
IUPAC Name3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C28H24N8/c1-2-9-36(8-1)17-18-10-20(15-30-13-18)24-12-23-26(16-32-24)34-35-27(23)25-11-22-21(5-7-31-28(22)33-25)19-4-3-6-29-14-19/h3-7,10-16H,1-2,8-9,17H2,(H,31,33)(H,34,35)
InChIKeyWKOOTJPUMAQZFO-UHFFFAOYSA-N
XLogP5.22
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137111204) is 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is WKOOTJPUMAQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8/c1-2-9-36(8-1)17-18-10-20(15-30-13-18)24-12-23-26(16-32-24)34-35-27(23)25-11-22-21(5-7-31-28(22)33-25)19-4-3-6-29-14-19/h3-7,10-16H,1-2,8-9,17H2,(H,31,33)(H,34,35).
What are the key properties of 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 472.56 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).