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

C23H18FN7 — CID 145253140

IUPAC3-[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
SMILESC=C/C=C(/c1ccccc1F)c1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)nc23)[nH]c1C
InChIInChI=1S/C23H18FN7/c1-3-6-16(15-7-4-5-8-17(15)24)20-13(2)27-23(29-20)22-21-19(30-31-22)10-9-18(28-21)14-11-25-26-12-14/h3-12H,1H2,2H3,(H,25,26)(H,27,29)(H,30,31)/b16-6-
InChIKeyDMKXMTUUXPNYBW-SOFYXZRVSA-N
MW411.44 g/mol
LogP4.80
Rot. Bonds5

About 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

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 (PubChem CID 145253140) has the molecular formula C23H18FN7 and a molecular weight of 411.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID145253140
Molecular FormulaC23H18FN7
Molecular Weight411.44 g/mol
Exact Mass411.16
IUPAC Name3-[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
SMILESC=C/C=C(/c1ccccc1F)c1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)nc23)[nH]c1C
InChIInChI=1S/C23H18FN7/c1-3-6-16(15-7-4-5-8-17(15)24)20-13(2)27-23(29-20)22-21-19(30-31-22)10-9-18(28-21)14-11-25-26-12-14/h3-12H,1H2,2H3,(H,25,26)(H,27,29)(H,30,31)/b16-6-
InChIKeyDMKXMTUUXPNYBW-SOFYXZRVSA-N
XLogP4.80
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(1E)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 145246614
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
3-[4-[(1E)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137033225
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-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112194
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
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
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
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109372
3-[4-[(1E)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 145254212

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(/c1ccccc1F)c1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)nc23)[nH]c1C.
What is the InChIKey of 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?
The InChIKey is DMKXMTUUXPNYBW-SOFYXZRVSA-N. The full InChI is InChI=1S/C23H18FN7/c1-3-6-16(15-7-4-5-8-17(15)24)20-13(2)27-23(29-20)22-21-19(30-31-22)10-9-18(28-21)14-11-25-26-12-14/h3-12H,1H2,2H3,(H,25,26)(H,27,29)(H,30,31)/b16-6-.
What are the key properties of 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?
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 has a molecular weight of 411.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145253140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).