2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine

C26H21N7 — CID 137156072

IUPAC2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
SMILESCCc1ccc(C)c(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-3-16-5-4-15(2)19(10-16)18-11-20-24(32-33-25(20)29-12-18)26-30-22-14-28-13-21(23(22)31-26)17-6-8-27-9-7-17/h4-14H,3H2,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyQQUKOOLHDKDOSS-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.50
Rot. Bonds4

About 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine

2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 137156072) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
PubChem CID137156072
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC Name2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
SMILESCCc1ccc(C)c(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7/c1-3-16-5-4-15(2)19(10-16)18-11-20-24(32-33-25(20)29-12-18)26-30-22-14-28-13-21(23(22)31-26)17-6-8-27-9-7-17/h4-14H,3H2,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyQQUKOOLHDKDOSS-UHFFFAOYSA-N
XLogP5.50
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-[3-ethyl-5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 137098411
2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol
CID 137130536
N-[[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136507053
2-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694
3-ethyl-N-propan-2-yl-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 137091901
2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 136945013
N-[3-ethyl-5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propanamide
CID 137159560
3-methyl-N-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137307860
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136944995
3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136945916
1,1-dimethyl-3-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea
CID 137307812
3-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159590253

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine (CID 137156072) is 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine is CCc1ccc(C)c(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
The InChIKey is QQUKOOLHDKDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-3-16-5-4-15(2)19(10-16)18-11-20-24(32-33-25(20)29-12-18)26-30-22-14-28-13-21(23(22)31-26)17-6-8-27-9-7-17/h4-14H,3H2,1-2H3,(H,30,31)(H,29,32,33).
What are the key properties of 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine?
2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 431.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137156072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).