3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

C22H19N7S — CID 137174308

IUPAC3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(C6=CCNCC6)cc45)[nH]c23)s1
InChIInChI=1S/C22H19N7S/c1-12-2-3-18(30-12)14-6-9-24-21-19(14)26-22(27-21)20-15-10-16(13-4-7-23-8-5-13)25-11-17(15)28-29-20/h2-4,6,9-11,23H,5,7-8H2,1H3,(H,28,29)(H,24,26,27)
InChIKeyBZBIIYVWQXZNPG-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.31
Rot. Bonds3

About 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137174308) has the molecular formula C22H19N7S and a molecular weight of 413.51 g/mol. Its IUPAC name is 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137174308
Molecular FormulaC22H19N7S
Molecular Weight413.51 g/mol
Exact Mass413.14
IUPAC Name3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(C6=CCNCC6)cc45)[nH]c23)s1
InChIInChI=1S/C22H19N7S/c1-12-2-3-18(30-12)14-6-9-24-21-19(14)26-22(27-21)20-15-10-16(13-4-7-23-8-5-13)25-11-17(15)28-29-20/h2-4,6,9-11,23H,5,7-8H2,1H3,(H,28,29)(H,24,26,27)
InChIKeyBZBIIYVWQXZNPG-UHFFFAOYSA-N
XLogP4.31
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 136937569
5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 136937670
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137042610
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136943152
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 145035738
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035498
1-[5-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137055736
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944220
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 137055692
5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137055695
3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136943076
1-[[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-2-phenylethanol
CID 137282933

Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137174308) is 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(C6=CCNCC6)cc45)[nH]c23)s1.
What is the InChIKey of 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BZBIIYVWQXZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7S/c1-12-2-3-18(30-12)14-6-9-24-21-19(14)26-22(27-21)20-15-10-16(13-4-7-23-8-5-13)25-11-17(15)28-29-20/h2-4,6,9-11,23H,5,7-8H2,1H3,(H,28,29)(H,24,26,27).
What are the key properties of 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 413.51 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137174308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).