5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

C25H20FN9 — CID 136945198

IUPAC5-[4-fluoro-3-(4-pyridin-4-yl-1H-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(-c6ccncc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C25H20FN9/c1-13(2)31-16-9-15(10-28-11-16)17-12-30-24-19(20(17)26)23(34-35-24)25-32-18-5-8-29-21(22(18)33-25)14-3-6-27-7-4-14/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35)
InChIKeyLDRNYLJHBHJAJX-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.98
Rot. Bonds5

About 5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 136945198) has the molecular formula C25H20FN9 and a molecular weight of 465.50 g/mol. Its IUPAC name is 5-[4-fluoro-3-(4-pyridin-4-yl-1H-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-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID136945198
Molecular FormulaC25H20FN9
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name5-[4-fluoro-3-(4-pyridin-4-yl-1H-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(-c6ccncc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C25H20FN9/c1-13(2)31-16-9-15(10-28-11-16)17-12-30-24-19(20(17)26)23(34-35-24)25-32-18-5-8-29-21(22(18)33-25)14-3-6-27-7-4-14/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35)
InChIKeyLDRNYLJHBHJAJX-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-[4-fluoro-3-(4-pyridin-4-yl-1H-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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Launch Full Analysis

Related Compounds

5-[4-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136945337
N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136945486
5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137056560
4-fluoro-5-pyridin-3-yl-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945197
N-[5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136945108
N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136945211
cyclopentyl-[[5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137313873
5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136945172
5-[4-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136945330
N-[5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136945181
N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136945222
cyclopentyl-[[5-[4-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137313904

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(4-pyridin-4-yl-1H-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-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 136945198) is 5-[4-fluoro-3-(4-pyridin-4-yl-1H-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-[4-fluoro-3-(4-pyridin-4-yl-1H-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-[4-fluoro-3-(4-pyridin-4-yl-1H-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(-c6ccncc6)nccc5[nH]4)c3c2F)c1.
What is the InChIKey of 5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is LDRNYLJHBHJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN9/c1-13(2)31-16-9-15(10-28-11-16)17-12-30-24-19(20(17)26)23(34-35-24)25-32-18-5-8-29-21(22(18)33-25)14-3-6-27-7-4-14/h3-13,31H,1-2H3,(H,32,33)(H,30,34,35).
What are the key properties of 5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[4-fluoro-3-(4-pyridin-4-yl-1H-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-[4-fluoro-3-(4-pyridin-4-yl-1H-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 136945198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).