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

C28H26N8 — CID 137091901

IUPAC3-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
SMILESCCc1cc(NC(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H26N8/c1-4-17-8-19(10-21(9-17)32-16(2)3)20-11-22-26(35-36-27(22)31-13-20)28-33-24-15-30-14-23(25(24)34-28)18-6-5-7-29-12-18/h5-16,32H,4H2,1-3H3,(H,33,34)(H,31,35,36)
InChIKeyZTVCYHNHPKPEHQ-UHFFFAOYSA-N
MW474.57 g/mol
LogP6.01
Rot. Bonds6

About 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

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 (PubChem CID 137091901) has the molecular formula C28H26N8 and a molecular weight of 474.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID137091901
Molecular FormulaC28H26N8
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name3-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
SMILESCCc1cc(NC(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H26N8/c1-4-17-8-19(10-21(9-17)32-16(2)3)20-11-22-26(35-36-27(22)31-13-20)28-33-24-15-30-14-23(25(24)34-28)18-6-5-7-29-12-18/h5-16,32H,4H2,1-3H3,(H,33,34)(H,31,35,36)
InChIKeyZTVCYHNHPKPEHQ-UHFFFAOYSA-N
XLogP6.01
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694
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
3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 136507020
N-[5-[3-[4-(3-ethylphenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137155365
3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137257278
2-methyl-2-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 140660609
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
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
N-[3-ethyl-5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]butanamide
CID 137059210

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(NC(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is ZTVCYHNHPKPEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8/c1-4-17-8-19(10-21(9-17)32-16(2)3)20-11-22-26(35-36-27(22)31-13-20)28-33-24-15-30-14-23(25(24)34-28)18-6-5-7-29-12-18/h5-16,32H,4H2,1-3H3,(H,33,34)(H,31,35,36).
What are the key properties of 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?
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 has a molecular weight of 474.57 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137091901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).