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

C16H10N8 — CID 137055628

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESc1cnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c2c1
InChIInChI=1S/C16H10N8/c1-2-11-15(19-3-1)22-16(21-11)14-10-4-12(9-5-17-8-18-6-9)20-7-13(10)23-24-14/h1-8H,(H,23,24)(H,19,21,22)
InChIKeyNPTSNVSAEBNPDS-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.35
Rot. Bonds2

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

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137055628) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID137055628
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESc1cnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c2c1
InChIInChI=1S/C16H10N8/c1-2-11-15(19-3-1)22-16(21-11)14-10-4-12(9-5-17-8-18-6-9)20-7-13(10)23-24-14/h1-8H,(H,23,24)(H,19,21,22)
InChIKeyNPTSNVSAEBNPDS-UHFFFAOYSA-N
XLogP2.35
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937443
1-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055616
4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137102119
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137057439
3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055478
5-pyridin-2-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136937369
5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134069
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942394
3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110457
2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
CID 137042112
2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136943680
3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136947697

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 137055628) is 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 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is c1cnc2nc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c2c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is NPTSNVSAEBNPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c1-2-11-15(19-3-1)22-16(21-11)14-10-4-12(9-5-17-8-18-6-9)20-7-13(10)23-24-14/h1-8H,(H,23,24)(H,19,21,22).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 314.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).