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

C29H27N7 — CID 137159853

IUPAC1-[3-ethyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H27N7/c1-4-18-11-19(17-36(2)3)13-21(12-18)22-14-24-27(34-35-28(24)31-16-22)29-32-25-9-5-8-23(26(25)33-29)20-7-6-10-30-15-20/h5-16H,4,17H2,1-3H3,(H,32,33)(H,31,34,35)
InChIKeyZUCVYZNZXXBQLA-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.85
Rot. Bonds6

About 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

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 (PubChem CID 137159853) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[3-ethyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID137159853
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name1-[3-ethyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H27N7/c1-4-18-11-19(17-36(2)3)13-21(12-18)22-14-24-27(34-35-28(24)31-16-22)29-32-25-9-5-8-23(26(25)33-29)20-7-6-10-30-15-20/h5-16H,4,17H2,1-3H3,(H,32,33)(H,31,34,35)
InChIKeyZUCVYZNZXXBQLA-UHFFFAOYSA-N
XLogP5.85
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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
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
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
N-[5-[3-[4-(3-ethylphenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137155365
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
N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137143286
(S)-(1-methylpiperidin-4-yl)-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137257170
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
2-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694
N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138627153
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(CN(C)C)cc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is ZUCVYZNZXXBQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-4-18-11-19(17-36(2)3)13-21(12-18)22-14-24-27(34-35-28(24)31-16-22)29-32-25-9-5-8-23(26(25)33-29)20-7-6-10-30-15-20/h5-16H,4,17H2,1-3H3,(H,32,33)(H,31,34,35).
What are the key properties of 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?
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 has a molecular weight of 473.58 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137159853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).