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

C32H23FN6 — CID 145035876

IUPAC7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CCc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C32H23FN6/c33-25-8-4-7-23(16-25)26-13-14-35-31-29(26)36-32(37-31)30-27-17-22(11-12-28(27)38-39-30)24-15-21(18-34-19-24)10-9-20-5-2-1-3-6-20/h1-8,11-19H,9-10H2,(H,38,39)(H,35,36,37)
InChIKeyUVMJGTYGSRAUNC-UHFFFAOYSA-N
MW510.58 g/mol
LogP7.15
Rot. Bonds6

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

7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 145035876) has the molecular formula C32H23FN6 and a molecular weight of 510.58 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID145035876
Molecular FormulaC32H23FN6
Molecular Weight510.58 g/mol
Exact Mass510.20
IUPAC Name7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CCc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C32H23FN6/c33-25-8-4-7-23(16-25)26-13-14-35-31-29(26)36-32(37-31)30-27-17-22(11-12-28(27)38-39-30)24-15-21(18-34-19-24)10-9-20-5-2-1-3-6-20/h1-8,11-19H,9-10H2,(H,38,39)(H,35,36,37)
InChIKeyUVMJGTYGSRAUNC-UHFFFAOYSA-N
XLogP7.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137014595
5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137133900
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 148771369
N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137134661
N-[[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 136937811
N-[[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137042516
7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137134681
7-(3-fluoro-5-methylphenyl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137135651
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137133950
N-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137014571
7-pyridin-4-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937796
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137014579

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 145035876) is 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CCc7ccccc7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is UVMJGTYGSRAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN6/c33-25-8-4-7-23(16-25)26-13-14-35-31-29(26)36-32(37-31)30-27-17-22(11-12-28(27)38-39-30)24-15-21(18-34-19-24)10-9-20-5-2-1-3-6-20/h1-8,11-19H,9-10H2,(H,38,39)(H,35,36,37).
What are the key properties of 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 510.58 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2-[5-[5-(2-phenylethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145035876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).