5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

C25H20FN9 — CID 136968893

IUPAC5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H20FN9/c1-13(2)31-18-4-14(6-28-10-18)15-5-19-23(34-35-24(19)30-8-15)25-32-21-12-29-11-20(22(21)33-25)16-3-17(26)9-27-7-16/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35)
InChIKeyBXWBHFOGSUOABJ-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.98
Rot. Bonds5

About 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 136968893) has the molecular formula C25H20FN9 and a molecular weight of 465.50 g/mol. Its IUPAC name is 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID136968893
Molecular FormulaC25H20FN9
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H20FN9/c1-13(2)31-18-4-14(6-28-10-18)15-5-19-23(34-35-24(19)30-8-15)25-32-21-12-29-11-20(22(21)33-25)16-3-17(26)9-27-7-16/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35)
InChIKeyBXWBHFOGSUOABJ-UHFFFAOYSA-N
XLogP4.98
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 136968893) is 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cncc(F)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is BXWBHFOGSUOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN9/c1-13(2)31-18-4-14(6-28-10-18)15-5-19-23(34-35-24(19)30-8-15)25-32-21-12-29-11-20(22(21)33-25)16-3-17(26)9-27-7-16/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35).
What are the key properties of 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 465.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(5-fluoro-3-pyridinyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 136968893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).