4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C24H18FN7O — CID 136938281

IUPAC4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)c1
InChIInChI=1S/C24H18FN7O/c1-32-12-15(11-27-32)13-3-4-19-18(9-13)22(31-30-19)24-28-20-5-6-26-21(23(20)29-24)14-7-16(25)10-17(8-14)33-2/h3-12H,1-2H3,(H,28,29)(H,30,31)
InChIKeyCDNKUQTYFZWFEK-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.72
Rot. Bonds4

About 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136938281) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136938281
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)c1
InChIInChI=1S/C24H18FN7O/c1-32-12-15(11-27-32)13-3-4-19-18(9-13)22(31-30-19)24-28-20-5-6-26-21(23(20)29-24)14-7-16(25)10-17(8-14)33-2/h3-12H,1-2H3,(H,28,29)(H,30,31)
InChIKeyCDNKUQTYFZWFEK-UHFFFAOYSA-N
XLogP4.72
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136938281) is 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is CDNKUQTYFZWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-32-12-15(11-27-32)13-3-4-19-18(9-13)22(31-30-19)24-28-20-5-6-26-21(23(20)29-24)14-7-16(25)10-17(8-14)33-2/h3-12H,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 439.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).