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

C18H12N6 — CID 137039818

IUPAC5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESc1cc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)ccn1
InChIInChI=1S/C18H12N6/c1-2-15-17(22-13(1)11-3-6-19-7-4-11)18(24-23-15)16-9-12-10-20-8-5-14(12)21-16/h1-10,21H,(H,23,24)
InChIKeyKZFOJIDHCUPEEX-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.56
Rot. Bonds2

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

5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137039818) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137039818
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESc1cc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)ccn1
InChIInChI=1S/C18H12N6/c1-2-15-17(22-13(1)11-3-6-19-7-4-11)18(24-23-15)16-9-12-10-20-8-5-14(12)21-16/h1-10,21H,(H,23,24)
InChIKeyKZFOJIDHCUPEEX-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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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137039818) is 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is KZFOJIDHCUPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-2-15-17(22-13(1)11-3-6-19-7-4-11)18(24-23-15)16-9-12-10-20-8-5-14(12)21-16/h1-10,21H,(H,23,24).
What are the key properties of 5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
5-pyridin-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-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-4-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).