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

C16H9FN8 — CID 137102119

IUPAC4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncnc2)ncc2[nH]nc(-c3nc4ncccc4[nH]3)c12
InChIInChI=1S/C16H9FN8/c17-12-11-10(6-21-13(12)8-4-18-7-19-5-8)24-25-14(11)16-22-9-2-1-3-20-15(9)23-16/h1-7H,(H,24,25)(H,20,22,23)
InChIKeyPGEVRYVRAHSFIS-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.49
Rot. Bonds2

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

4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137102119) has the molecular formula C16H9FN8 and a molecular weight of 332.30 g/mol. Its IUPAC name is 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID137102119
Molecular FormulaC16H9FN8
Molecular Weight332.30 g/mol
Exact Mass332.09
IUPAC Name4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncnc2)ncc2[nH]nc(-c3nc4ncccc4[nH]3)c12
InChIInChI=1S/C16H9FN8/c17-12-11-10(6-21-13(12)8-4-18-7-19-5-8)24-25-14(11)16-22-9-2-1-3-20-15(9)23-16/h1-7H,(H,24,25)(H,20,22,23)
InChIKeyPGEVRYVRAHSFIS-UHFFFAOYSA-N
XLogP2.49
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136944028
4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136943925
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055628
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942818
N-[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137102117
4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942688
N-[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137135335
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937443
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136944066
1-[5-[4-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055874
4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942518

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 137102119) is 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncnc2)ncc2[nH]nc(-c3nc4ncccc4[nH]3)c12.
What is the InChIKey of 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is PGEVRYVRAHSFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN8/c17-12-11-10(6-21-13(12)8-4-18-7-19-5-8)24-25-14(11)16-22-9-2-1-3-20-15(9)23-16/h1-7H,(H,24,25)(H,20,22,23).
What are the key properties of 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 332.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137102119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).