2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine

C23H15FN6O — CID 137134512

IUPAC2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c2c1
InChIInChI=1S/C23H15FN6O/c1-12-2-5-25-10-17(12)14-8-16-19(18(24)9-14)29-30-21(16)23-27-20-15(13-4-7-31-11-13)3-6-26-22(20)28-23/h2-11H,1H3,(H,29,30)(H,26,27,28)
InChIKeyAAOVALQAWRKNFO-UHFFFAOYSA-N
MW410.41 g/mol
LogP5.27
Rot. Bonds3

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

2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137134512) has the molecular formula C23H15FN6O and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID137134512
Molecular FormulaC23H15FN6O
Molecular Weight410.41 g/mol
Exact Mass410.13
IUPAC Name2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c2c1
InChIInChI=1S/C23H15FN6O/c1-12-2-5-25-10-17(12)14-8-16-19(18(24)9-14)29-30-21(16)23-27-20-15(13-4-7-31-11-13)3-6-26-22(20)28-23/h2-11H,1H3,(H,29,30)(H,26,27,28)
InChIKeyAAOVALQAWRKNFO-UHFFFAOYSA-N
XLogP5.27
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134511
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134521
[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
CID 137316559
N-[[5-[7-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134327
2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
CID 137057058
5-[7-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134490
5-[7-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]pyridin-3-amine
CID 137134571
N-[[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055270
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137134281
2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 137134393
5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137056601

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (CID 137134512) is 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is Cc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c2c1.
What is the InChIKey of 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AAOVALQAWRKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O/c1-12-2-5-25-10-17(12)14-8-16-19(18(24)9-14)29-30-21(16)23-27-20-15(13-4-7-31-11-13)3-6-26-22(20)28-23/h2-11H,1H3,(H,29,30)(H,26,27,28).
What are the key properties of 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 410.41 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137134512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).