7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C29H24FN7O — CID 136938075

IUPAC7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)cc1
InChIInChI=1S/C29H24FN7O/c30-20-4-1-17(2-5-20)23-9-12-33-28-26(23)34-29(35-28)27-24-14-18(3-6-25(24)36-37-27)19-13-22(16-32-15-19)38-21-7-10-31-11-8-21/h1-6,9,12-16,21,31H,7-8,10-11H2,(H,36,37)(H,33,34,35)
InChIKeyKPXOIDGWWQXWSW-UHFFFAOYSA-N
MW505.56 g/mol
LogP5.50
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136938075) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID136938075
Molecular FormulaC29H24FN7O
Molecular Weight505.56 g/mol
Exact Mass505.20
IUPAC Name7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)cc1
InChIInChI=1S/C29H24FN7O/c30-20-4-1-17(2-5-20)23-9-12-33-28-26(23)34-29(35-28)27-24-14-18(3-6-25(24)36-37-27)19-13-22(16-32-15-19)38-21-7-10-31-11-8-21/h1-6,9,12-16,21,31H,7-8,10-11H2,(H,36,37)(H,33,34,35)
InChIKeyKPXOIDGWWQXWSW-UHFFFAOYSA-N
XLogP5.50
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 137041577
3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137308599
N-[5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 136938011
5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137133900
4-(5-fluorothiophen-2-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936952
7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137135651
3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937556
7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938098
7-(3-fluoro-5-methoxyphenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
CID 137041887
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137038339
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 137055297
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936936

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 136938075) is 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KPXOIDGWWQXWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-20-4-1-17(2-5-20)23-9-12-33-28-26(23)34-29(35-28)27-24-14-18(3-6-25(24)36-37-27)19-13-22(16-32-15-19)38-21-7-10-31-11-8-21/h1-6,9,12-16,21,31H,7-8,10-11H2,(H,36,37)(H,33,34,35).
What are the key properties of 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 505.56 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136938075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).