4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C25H21FN6O — CID 136938282

IUPAC4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C25H21FN6O/c1-33-18-11-16(10-17(26)13-18)22-24-21(6-9-28-22)29-25(30-24)23-19-12-15(2-3-20(19)31-32-23)14-4-7-27-8-5-14/h2-4,6,9-13,27H,5,7-8H2,1H3,(H,29,30)(H,31,32)
InChIKeyMNBJQEVNEUZTMR-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.69
Rot. Bonds4

About 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136938282) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136938282
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C25H21FN6O/c1-33-18-11-16(10-17(26)13-18)22-24-21(6-9-28-22)29-25(30-24)23-19-12-15(2-3-20(19)31-32-23)14-4-7-27-8-5-14/h2-4,6,9-13,27H,5,7-8H2,1H3,(H,29,30)(H,31,32)
InChIKeyMNBJQEVNEUZTMR-UHFFFAOYSA-N
XLogP4.69
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136938282) is 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)cc45)nc23)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is MNBJQEVNEUZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-33-18-11-16(10-17(26)13-18)22-24-21(6-9-28-22)29-25(30-24)23-19-12-15(2-3-20(19)31-32-23)14-4-7-27-8-5-14/h2-4,6,9-13,27H,5,7-8H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 440.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).