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

C23H15N7 — CID 137040349

IUPAC5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)nc1
InChIInChI=1S/C23H15N7/c1-2-6-26-19(3-1)18-12-25-13-21-16(18)10-20(28-21)22-17-9-15(11-27-23(17)30-29-22)14-4-7-24-8-5-14/h1-13,28H,(H,27,29,30)
InChIKeyJCGQTSSLYWTQSK-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.63
Rot. Bonds3

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

5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040349) has the molecular formula C23H15N7 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040349
Molecular FormulaC23H15N7
Molecular Weight389.42 g/mol
Exact Mass389.14
IUPAC Name5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)nc1
InChIInChI=1S/C23H15N7/c1-2-6-26-19(3-1)18-12-25-13-21-16(18)10-20(28-21)22-17-9-15(11-27-23(17)30-29-22)14-4-7-24-8-5-14/h1-13,28H,(H,27,29,30)
InChIKeyJCGQTSSLYWTQSK-UHFFFAOYSA-N
XLogP4.63
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 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) is 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)nc1.
What is the InChIKey of 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JCGQTSSLYWTQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7/c1-2-6-26-19(3-1)18-12-25-13-21-16(18)10-20(28-21)22-17-9-15(11-27-23(17)30-29-22)14-4-7-24-8-5-14/h1-13,28H,(H,27,29,30).
What are the key properties of 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 389.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).