2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine

C31H26FN5O — CID 137312805

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C31H26FN5O/c32-22-6-4-5-20(13-22)30-26-16-29(35-27(26)11-12-34-30)31-25-15-19(9-10-28(25)36-37-31)21-14-24(18-33-17-21)38-23-7-2-1-3-8-23/h4-6,9-18,23,35H,1-3,7-8H2,(H,36,37)
InChIKeyOLKSNNYYXGCLEL-UHFFFAOYSA-N
MW503.58 g/mol
LogP7.69
Rot. Bonds5

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 137312805) has the molecular formula C31H26FN5O and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID137312805
Molecular FormulaC31H26FN5O
Molecular Weight503.58 g/mol
Exact Mass503.21
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C31H26FN5O/c32-22-6-4-5-20(13-22)30-26-16-29(35-27(26)11-12-34-30)31-25-15-19(9-10-28(25)36-37-31)21-14-24(18-33-17-21)38-23-7-2-1-3-8-23/h4-6,9-18,23,35H,1-3,7-8H2,(H,36,37)
InChIKeyOLKSNNYYXGCLEL-UHFFFAOYSA-N
XLogP7.69
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137088040
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137310687
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137312871
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137114147
1-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanamine
CID 145252341
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137145274
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137283050
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
CID 137115300
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137114012
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
2-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137114167
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 154514477

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine (CID 137312805) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine is Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is OLKSNNYYXGCLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O/c32-22-6-4-5-20(13-22)30-26-16-29(35-27(26)11-12-34-30)31-25-15-19(9-10-28(25)36-37-31)21-14-24(18-33-17-21)38-23-7-2-1-3-8-23/h4-6,9-18,23,35H,1-3,7-8H2,(H,36,37).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 503.58 g/mol, XLogP of 7.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 137312805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).