2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine

C29H24FN7O — CID 136947149

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1
InChIInChI=1S/C29H24FN7O/c30-19-8-6-17(7-9-19)23-14-32-15-26-27(23)35-29(34-26)28-22-11-24(33-16-25(22)36-37-28)18-10-21(13-31-12-18)38-20-4-2-1-3-5-20/h6-16,20H,1-5H2,(H,34,35)(H,36,37)
InChIKeyVKNKCHFHFUMBTN-UHFFFAOYSA-N
MW505.56 g/mol
LogP6.48
Rot. Bonds5

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 136947149) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID136947149
Molecular FormulaC29H24FN7O
Molecular Weight505.56 g/mol
Exact Mass505.20
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1
InChIInChI=1S/C29H24FN7O/c30-19-8-6-17(7-9-19)23-14-32-15-26-27(23)35-29(34-26)28-22-11-24(33-16-25(22)36-37-28)18-10-21(13-31-12-18)38-20-4-2-1-3-5-20/h6-16,20H,1-5H2,(H,34,35)(H,36,37)
InChIKeyVKNKCHFHFUMBTN-UHFFFAOYSA-N
XLogP6.48
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136944238
3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136947323
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 136943080
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine
CID 136947218
5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136946458
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137142989
3-[2-[5-(6-cyclohexyloxypyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenol
CID 136947539
N-[[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137143079
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 137109789
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(4-fluorophenyl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole
CID 145246739
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136946401
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136946130

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine (CID 136947149) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is VKNKCHFHFUMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-19-8-6-17(7-9-19)23-14-32-15-26-27(23)35-29(34-26)28-22-11-24(33-16-25(22)36-37-28)18-10-21(13-31-12-18)38-20-4-2-1-3-5-20/h6-16,20H,1-5H2,(H,34,35)(H,36,37).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 505.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136947149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).