5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

C20H17N7 — CID 139424492

IUPAC5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C20H17N7/c1-27(2)13-9-12(10-21-11-13)14-7-8-17-18(22-14)19(26-25-17)20-23-15-5-3-4-6-16(15)24-20/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPJOYZQRUMFUXGI-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.63
Rot. Bonds3

About 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 139424492) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
PubChem CID139424492
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C20H17N7/c1-27(2)13-9-12(10-21-11-13)14-7-8-17-18(22-14)19(26-25-17)20-23-15-5-3-4-6-16(15)24-20/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPJOYZQRUMFUXGI-UHFFFAOYSA-N
XLogP3.63
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109461
5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-hex-1-en-2-ylpyridin-3-amine
CID 145249560
3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109537
3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038916
N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137042113
N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137038048
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
CID 122447513
1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137114481
N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137110353
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137039190
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
1-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137038490

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (CID 139424492) is 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3n2)c1.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
The InChIKey is PJOYZQRUMFUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-27(2)13-9-12(10-21-11-13)14-7-8-17-18(22-14)19(26-25-17)20-23-15-5-3-4-6-16(15)24-20/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?
5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 355.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 139424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).