5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine

C19H16N6 — CID 145244759

IUPAC5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESC=C/C=C\C(=C/C)c1ccc2[nH]nc(-c3nc4ccncc4[nH]3)c2n1
InChIInChI=1S/C19H16N6/c1-3-5-6-12(4-2)13-7-8-15-17(21-13)18(25-24-15)19-22-14-9-10-20-11-16(14)23-19/h3-11H,1H2,2H3,(H,22,23)(H,24,25)/b6-5-,12-4+
InChIKeyTVJMTQFTKMCRLV-JWUPWDRQSA-N
MW328.38 g/mol
LogP4.04
Rot. Bonds4

About 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine

5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145244759) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID145244759
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESC=C/C=C\C(=C/C)c1ccc2[nH]nc(-c3nc4ccncc4[nH]3)c2n1
InChIInChI=1S/C19H16N6/c1-3-5-6-12(4-2)13-7-8-15-17(21-13)18(25-24-15)19-22-14-9-10-20-11-16(14)23-19/h3-11H,1H2,2H3,(H,22,23)(H,24,25)/b6-5-,12-4+
InChIKeyTVJMTQFTKMCRLV-JWUPWDRQSA-N
XLogP4.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038916
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145248947
5-(2,3-dimethylimidazol-4-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039406
(3E,5E)-5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-(1-cyclopropylethenyl)hepta-1,3,5-trien-3-amine
CID 145249709
(3E,5E)-N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145244776
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137039190
(E)-N-ethenyl-2-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]but-2-en-1-imine
CID 145249118
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
(3E,5E)-N-(1-cyclopropylethenyl)-5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145308161
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137039135
2-(6-chloro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820027
3-(1H-benzimidazol-2-yl)-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109537

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 145244759) is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is C=C/C=C\C(=C/C)c1ccc2[nH]nc(-c3nc4ccncc4[nH]3)c2n1.
What is the InChIKey of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is TVJMTQFTKMCRLV-JWUPWDRQSA-N. The full InChI is InChI=1S/C19H16N6/c1-3-5-6-12(4-2)13-7-8-15-17(21-13)18(25-24-15)19-22-14-9-10-20-11-16(14)23-19/h3-11H,1H2,2H3,(H,22,23)(H,24,25)/b6-5-,12-4+.
What are the key properties of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 328.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145244759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).