3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

C20H21N5 — CID 145246998

IUPAC3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESC=C/C=C\c1cc(-c2n[nH]c3cnc(C4=CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C20H21N5/c1-3-4-5-15-10-18(23-13(15)2)20-16-11-17(14-6-8-21-9-7-14)22-12-19(16)24-25-20/h3-6,10-12,21,23H,1,7-9H2,2H3,(H,24,25)/b5-4-
InChIKeyBDGOXLLIHWIFRL-PLNGDYQASA-N
MW331.42 g/mol
LogP3.84
Rot. Bonds4

About 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145246998) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID145246998
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESC=C/C=C\c1cc(-c2n[nH]c3cnc(C4=CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C20H21N5/c1-3-4-5-15-10-18(23-13(15)2)20-16-11-17(14-6-8-21-9-7-14)22-12-19(16)24-25-20/h3-6,10-12,21,23H,1,7-9H2,2H3,(H,24,25)/b5-4-
InChIKeyBDGOXLLIHWIFRL-PLNGDYQASA-N
XLogP3.84
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]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

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
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137116347
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
2-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137116404
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
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
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
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137040352
3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 145036762
5-[3-[4-[(1Z)-1-cyclopenta-1,4-dien-1-ylbuta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137033081
3-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
CID 145037697
5-[3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(1-cyclohexylethenyl)pyridin-3-amine
CID 137033185

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 145246998) is 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is C=C/C=C\c1cc(-c2n[nH]c3cnc(C4=CCNCC4)cc23)[nH]c1C.
What is the InChIKey of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BDGOXLLIHWIFRL-PLNGDYQASA-N. The full InChI is InChI=1S/C20H21N5/c1-3-4-5-15-10-18(23-13(15)2)20-16-11-17(14-6-8-21-9-7-14)22-12-19(16)24-25-20/h3-6,10-12,21,23H,1,7-9H2,2H3,(H,24,25)/b5-4-.
What are the key properties of 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 331.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145246998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).