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

C21H17N7S — CID 137056954

IUPAC2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)CCNC1
InChIInChI=1S/C21H17N7S/c1-2-16(29-9-1)14-5-8-23-20-17(14)25-21(26-20)18-15-10-13(11-24-19(15)28-27-18)12-3-6-22-7-4-12/h1-3,5,8-11,22H,4,6-7H2,(H,23,25,26)(H,24,27,28)
InChIKeyBVEIFVURGVIEIB-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.00
Rot. Bonds3

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

2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056954) has the molecular formula C21H17N7S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137056954
Molecular FormulaC21H17N7S
Molecular Weight399.48 g/mol
Exact Mass399.13
IUPAC Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)CCNC1
InChIInChI=1S/C21H17N7S/c1-2-16(29-9-1)14-5-8-23-20-17(14)25-21(26-20)18-15-10-13(11-24-19(15)28-27-18)12-3-6-22-7-4-12/h1-3,5,8-11,22H,4,6-7H2,(H,23,25,26)(H,24,27,28)
InChIKeyBVEIFVURGVIEIB-UHFFFAOYSA-N
XLogP4.00
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(7-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038556
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-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145299
N-[[5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137056174
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056857
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056958
3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038274
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056035
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056912
1-[5-[2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137056989

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 137056954) is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is C1=C(c2cnc3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)CCNC1.
What is the InChIKey of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is BVEIFVURGVIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7S/c1-2-16(29-9-1)14-5-8-23-20-17(14)25-21(26-20)18-15-10-13(11-24-19(15)28-27-18)12-3-6-22-7-4-12/h1-3,5,8-11,22H,4,6-7H2,(H,23,25,26)(H,24,27,28).
What are the key properties of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 399.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).