3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine

C24H19N7 — CID 145253097

IUPAC3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESC=C/C=C(/c1ccncc1)c1nc(-c2n[nH]c3ccc(-c4ccncc4)nc23)[nH]c1C
InChIInChI=1S/C24H19N7/c1-3-4-18(16-7-11-25-12-8-16)21-15(2)27-24(29-21)23-22-20(30-31-23)6-5-19(28-22)17-9-13-26-14-10-17/h3-14H,1H2,2H3,(H,27,29)(H,30,31)/b18-4-
InChIKeyNOKWADCFJXGBDP-LMXLVEHLSA-N
MW405.47 g/mol
LogP4.73
Rot. Bonds5

About 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine

3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145253097) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID145253097
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESC=C/C=C(/c1ccncc1)c1nc(-c2n[nH]c3ccc(-c4ccncc4)nc23)[nH]c1C
InChIInChI=1S/C24H19N7/c1-3-4-18(16-7-11-25-12-8-16)21-15(2)27-24(29-21)23-22-20(30-31-23)6-5-19(28-22)17-9-13-26-14-10-17/h3-14H,1H2,2H3,(H,27,29)(H,30,31)/b18-4-
InChIKeyNOKWADCFJXGBDP-LMXLVEHLSA-N
XLogP4.73
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(1Z)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145253140
N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145253319
3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137033228
N-but-1-en-2-yl-5-[3-[4-[(1E)-1-(5-fluorothiophen-2-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;ethane
CID 145253078
3-[5-methyl-4-[(1Z,3Z)-1-pyridin-2-ylpenta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 145253059
N-[3-fluoro-5-[(1Z)-1-[5-methyl-2-[5-[5-(pent-1-en-2-ylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazol-4-yl]buta-1,3-dienyl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 145253113
5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145036747
3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-pyrazin-2-yl-1H-indazole
CID 145036073
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
(3E,5E)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 145253506
3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145036651
3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145037062

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 145253097) is 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is C=C/C=C(/c1ccncc1)c1nc(-c2n[nH]c3ccc(-c4ccncc4)nc23)[nH]c1C.
What is the InChIKey of 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is NOKWADCFJXGBDP-LMXLVEHLSA-N. The full InChI is InChI=1S/C24H19N7/c1-3-4-18(16-7-11-25-12-8-16)21-15(2)27-24(29-21)23-22-20(30-31-23)6-5-19(28-22)17-9-13-26-14-10-17/h3-14H,1H2,2H3,(H,27,29)(H,30,31)/b18-4-.
What are the key properties of 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine?
3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 405.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145253097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).