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

C29H24FN7O — CID 136944238

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc12
InChIInChI=1S/C29H24FN7O/c30-22-9-5-4-8-20(22)26-28-23(10-11-32-26)34-29(35-28)27-21-13-24(33-16-25(21)36-37-27)17-12-19(15-31-14-17)38-18-6-2-1-3-7-18/h4-5,8-16,18H,1-3,6-7H2,(H,34,35)(H,36,37)
InChIKeyFNYNPZSWUPEMSB-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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136944238) 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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID136944238
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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc12
InChIInChI=1S/C29H24FN7O/c30-22-9-5-4-8-20(22)26-28-23(10-11-32-26)34-29(35-28)27-21-13-24(33-16-25(21)36-37-27)17-12-19(15-31-14-17)38-18-6-2-1-3-7-18/h4-5,8-16,18H,1-3,6-7H2,(H,34,35)(H,36,37)
InChIKeyFNYNPZSWUPEMSB-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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

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-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 136947149
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942925
3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136944247
N-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136943457
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
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
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937613
1-[5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136944492
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136943138
4-(2-fluorophenyl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019406
2-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 136937067

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 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) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc12.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is FNYNPZSWUPEMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-22-9-5-4-8-20(22)26-28-23(10-11-32-26)34-29(35-28)27-21-13-24(33-16-25(21)36-37-27)17-12-19(15-31-14-17)38-18-6-2-1-3-7-18/h4-5,8-16,18H,1-3,6-7H2,(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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-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]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).