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

C23H17N7S — CID 136945013

IUPAC2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)s1
InChIInChI=1S/C23H17N7S/c1-12-5-7-24-11-16(12)14-9-15-19(29-30-22(15)26-10-14)23-27-17-6-8-25-21(20(17)28-23)18-4-3-13(2)31-18/h3-11H,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyLAMXQVVTVCPLTB-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.30
Rot. Bonds3

About 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

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 (PubChem CID 136945013) has the molecular formula C23H17N7S and a molecular weight of 423.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136945013
Molecular FormulaC23H17N7S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC Name2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)s1
InChIInChI=1S/C23H17N7S/c1-12-5-7-24-11-16(12)14-9-15-19(29-30-22(15)26-10-14)23-27-17-6-8-25-21(20(17)28-23)18-4-3-13(2)31-18/h3-11H,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyLAMXQVVTVCPLTB-UHFFFAOYSA-N
XLogP5.30
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945744
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
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
1-[5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137311198
5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136944990
1-[5-[2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136945742
5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137280835
4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945456
5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136945007
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136945010
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137054933

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cnccc6C)cc45)nc23)s1.
What is the InChIKey of 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?
The InChIKey is LAMXQVVTVCPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7S/c1-12-5-7-24-11-16(12)14-9-15-19(29-30-22(15)26-10-14)23-27-17-6-8-25-21(20(17)28-23)18-4-3-13(2)31-18/h3-11H,1-2H3,(H,27,28)(H,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 423.51 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136945013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).