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

C22H19N7 — CID 145038556

IUPAC3-(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
SMILESC1=CC(c2ccnc3nc(-c4[nH]nc5ncc(C6=CCNCC6)cc45)[nH]c23)=CC1
InChIInChI=1S/C22H19N7/c1-2-4-14(3-1)16-7-10-24-21-18(16)26-22(27-21)19-17-11-15(12-25-20(17)29-28-19)13-5-8-23-9-6-13/h1,3-5,7,10-12,23H,2,6,8-9H2,(H,24,26,27)(H,25,28,29)
InChIKeySSEHWIIGDMRIPX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.62
Rot. Bonds3

About 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

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 (PubChem CID 145038556) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID145038556
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name3-(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
SMILESC1=CC(c2ccnc3nc(-c4[nH]nc5ncc(C6=CCNCC6)cc45)[nH]c23)=CC1
InChIInChI=1S/C22H19N7/c1-2-4-14(3-1)16-7-10-24-21-18(16)26-22(27-21)19-17-11-15(12-25-20(17)29-28-19)13-5-8-23-9-6-13/h1,3-5,7,10-12,23H,2,6,8-9H2,(H,24,26,27)(H,25,28,29)
InChIKeySSEHWIIGDMRIPX-UHFFFAOYSA-N
XLogP3.62
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056035
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
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
2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056920
5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137055986
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
3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137057177
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccnc3nc(-c4[nH]nc5ncc(C6=CCNCC6)cc45)[nH]c23)=CC1.
What is the InChIKey of 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?
The InChIKey is SSEHWIIGDMRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-2-4-14(3-1)16-7-10-24-21-18(16)26-22(27-21)19-17-11-15(12-25-20(17)29-28-19)13-5-8-23-9-6-13/h1,3-5,7,10-12,23H,2,6,8-9H2,(H,24,26,27)(H,25,28,29).
What are the key properties of 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?
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 has a molecular weight of 381.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145038556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).