4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide

C22H26N4O — CID 125441424

IUPAC4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1ccc2c(c1)c(-c1ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc1)nn2C
InChIInChI=1S/C22H26N4O/c1-15-5-10-20-19(13-15)21(23-26(20)4)16-6-8-17(9-7-16)22(27)25(3)18-11-12-24(2)14-18/h5-10,13,18H,11-12,14H2,1-4H3/t18-/m0/s1
InChIKeyJDIGYPJSOFLMGA-SFHVURJKSA-N
MW362.48 g/mol
LogP3.32
Rot. Bonds3

About 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide

4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 125441424) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID125441424
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1ccc2c(c1)c(-c1ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc1)nn2C
InChIInChI=1S/C22H26N4O/c1-15-5-10-20-19(13-15)21(23-26(20)4)16-6-8-17(9-7-16)22(27)25(3)18-11-12-24(2)14-18/h5-10,13,18H,11-12,14H2,1-4H3/t18-/m0/s1
InChIKeyJDIGYPJSOFLMGA-SFHVURJKSA-N
XLogP3.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide (CID 125441424) is 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide is Cc1ccc2c(c1)c(-c1ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc1)nn2C.
What is the InChIKey of 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is JDIGYPJSOFLMGA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-5-10-20-19(13-15)21(23-26(20)4)16-6-8-17(9-7-16)22(27)25(3)18-11-12-24(2)14-18/h5-10,13,18H,11-12,14H2,1-4H3/t18-/m0/s1.
What are the key properties of 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125441424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).