3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C23H17FN8 — CID 139418221

IUPAC3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C\C(F)=C(/C)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncnc5)cc34)nc12
InChIInChI=1S/C23H17FN8/c1-3-4-5-18(24)13(2)17-10-25-11-19-20(17)30-23(29-19)21-16-6-14(9-28-22(16)32-31-21)15-7-26-12-27-8-15/h3-12H,1H2,2H3,(H,29,30)(H,28,31,32)/b5-4-,18-13-
InChIKeyRMKUSQYTXHVMDQ-BGQNZKEBSA-N
MW424.44 g/mol
LogP4.80
Rot. Bonds5

About 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 139418221) has the molecular formula C23H17FN8 and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID139418221
Molecular FormulaC23H17FN8
Molecular Weight424.44 g/mol
Exact Mass424.16
IUPAC Name3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESC=C/C=C\C(F)=C(/C)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncnc5)cc34)nc12
InChIInChI=1S/C23H17FN8/c1-3-4-5-18(24)13(2)17-10-25-11-19-20(17)30-23(29-19)21-16-6-14(9-28-22(16)32-31-21)15-7-26-12-27-8-15/h3-12H,1H2,2H3,(H,29,30)(H,28,31,32)/b5-4-,18-13-
InChIKeyRMKUSQYTXHVMDQ-BGQNZKEBSA-N
XLogP4.80
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136945890
N-[[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136507053
N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide
CID 137082797
2-(5-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 137172694
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 146895737
2-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 140660598
2-methyl-2-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 140660609
1,1-dimethyl-3-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea
CID 137307812
N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137082114
5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136944990
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136507080
3-methyl-N-[5-[3-[7-(4-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137307860

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 139418221) is 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is C=C/C=C\C(F)=C(/C)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncnc5)cc34)nc12.
What is the InChIKey of 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is RMKUSQYTXHVMDQ-BGQNZKEBSA-N. The full InChI is InChI=1S/C23H17FN8/c1-3-4-5-18(24)13(2)17-10-25-11-19-20(17)30-23(29-19)21-16-6-14(9-28-22(16)32-31-21)15-7-26-12-27-8-15/h3-12H,1H2,2H3,(H,29,30)(H,28,31,32)/b5-4-,18-13-.
What are the key properties of 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 424.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 139418221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).