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

C24H16FN7 — CID 137135236

IUPAC2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5ccccn5)c4[nH]3)c2c1F
InChIInChI=1S/C24H16FN7/c1-13-7-10-26-12-16(13)14-5-6-18-19(20(14)25)22(32-31-18)24-29-21-15(8-11-28-23(21)30-24)17-4-2-3-9-27-17/h2-12H,1H3,(H,31,32)(H,28,29,30)
InChIKeyFNYUHBRGJIUCQN-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.07
Rot. Bonds3

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

2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137135236) has the molecular formula C24H16FN7 and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137135236
Molecular FormulaC24H16FN7
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5ccccn5)c4[nH]3)c2c1F
InChIInChI=1S/C24H16FN7/c1-13-7-10-26-12-16(13)14-5-6-18-19(20(14)25)22(32-31-18)24-29-21-15(8-11-28-23(21)30-24)17-4-2-3-9-27-17/h2-12H,1H3,(H,31,32)(H,28,29,30)
InChIKeyFNYUHBRGJIUCQN-UHFFFAOYSA-N
XLogP5.07
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 137313411
1-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137135244
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 136936554
N-[5-[4-fluoro-3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137135233
3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137041930
2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137135417
7-pyridin-2-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937783
1-[5-[4-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137135160
N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 137174552
2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137135196
ethane;4-methyl-3-pyridin-2-ylpyridine
CID 143216291
5-pyridin-2-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136937369

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine (CID 137135236) is 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4nccc(-c5ccccn5)c4[nH]3)c2c1F.
What is the InChIKey of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FNYUHBRGJIUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7/c1-13-7-10-26-12-16(13)14-5-6-18-19(20(14)25)22(32-31-18)24-29-21-15(8-11-28-23(21)30-24)17-4-2-3-9-27-17/h2-12H,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine?
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 421.44 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).