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

C23H16N8 — CID 137033292

IUPAC5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C23H16N8/c24-15-5-14(8-26-9-15)19-7-17-22(12-28-19)30-31-23(17)20-6-16-18(10-27-11-21(16)29-20)13-1-3-25-4-2-13/h1-12,29H,24H2,(H,30,31)
InChIKeyUIINVSMSRSFQES-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.21
Rot. Bonds3

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

5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 137033292) has the molecular formula C23H16N8 and a molecular weight of 404.44 g/mol. Its IUPAC name is 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
PubChem CID137033292
Molecular FormulaC23H16N8
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C23H16N8/c24-15-5-14(8-26-9-15)19-7-17-22(12-28-19)30-31-23(17)20-6-16-18(10-27-11-21(16)29-20)13-1-3-25-4-2-13/h1-12,29H,24H2,(H,30,31)
InChIKeyUIINVSMSRSFQES-UHFFFAOYSA-N
XLogP4.21
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 137033292) is 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The InChIKey is UIINVSMSRSFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8/c24-15-5-14(8-26-9-15)19-7-17-22(12-28-19)30-31-23(17)20-6-16-18(10-27-11-21(16)29-20)13-1-3-25-4-2-13/h1-12,29H,24H2,(H,30,31).
What are the key properties of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 404.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).