5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

C22H21FN4O2 — CID 155561660

IUPAC5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(OC)c(F)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H21FN4O2/c1-24-19-9-17(13-26(2)22(19)28)15-5-6-16-11-25-27(20(16)10-15)12-14-4-7-21(29-3)18(23)8-14/h4-11,13,24H,12H2,1-3H3
InChIKeyNDQORGXJZNPIEJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.64
Rot. Bonds5

About 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (PubChem CID 155561660) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
PubChem CID155561660
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(OC)c(F)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H21FN4O2/c1-24-19-9-17(13-26(2)22(19)28)15-5-6-16-11-25-27(20(16)10-15)12-14-4-7-21(29-3)18(23)8-14/h4-11,13,24H,12H2,1-3H3
InChIKeyNDQORGXJZNPIEJ-UHFFFAOYSA-N
XLogP3.64
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The IUPAC name of 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (CID 155561660) is 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The canonical SMILES for 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4ccc(OC)c(F)c4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The InChIKey is NDQORGXJZNPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-24-19-9-17(13-26(2)22(19)28)15-5-6-16-11-25-27(20(16)10-15)12-14-4-7-21(29-3)18(23)8-14/h4-11,13,24H,12H2,1-3H3.
What are the key properties of 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one has a molecular weight of 392.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-fluoro-4-methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 155561660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).