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

C28H26N8 — CID 137098411

IUPAC1-[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
SMILESCCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H26N8/c1-4-17-9-18(16-36(2)3)11-20(10-17)21-12-22-26(34-35-27(22)31-13-21)28-32-24-15-30-14-23(25(24)33-28)19-5-7-29-8-6-19/h5-15H,4,16H2,1-3H3,(H,32,33)(H,31,34,35)
InChIKeyLNMVTCBFXFAKLK-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.25
Rot. Bonds6

About 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

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 (PubChem CID 137098411) has the molecular formula C28H26N8 and a molecular weight of 474.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID137098411
Molecular FormulaC28H26N8
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name1-[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
SMILESCCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H26N8/c1-4-17-9-18(16-36(2)3)11-20(10-17)21-12-22-26(34-35-27(22)31-13-21)28-32-24-15-30-14-23(25(24)33-28)19-5-7-29-8-6-19/h5-15H,4,16H2,1-3H3,(H,32,33)(H,31,34,35)
InChIKeyLNMVTCBFXFAKLK-UHFFFAOYSA-N
XLogP5.25
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-[3-ethyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 137159853
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
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
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
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
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,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946481
1-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136944967
1-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137054981
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
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 146895737
2-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is LNMVTCBFXFAKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8/c1-4-17-9-18(16-36(2)3)11-20(10-17)21-12-22-26(34-35-27(22)31-13-21)28-32-24-15-30-14-23(25(24)33-28)19-5-7-29-8-6-19/h5-15H,4,16H2,1-3H3,(H,32,33)(H,31,34,35).
What are the key properties of 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?
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 has a molecular weight of 474.57 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137098411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).