N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide

C24H29N5O2 — CID 139640143

IUPACN-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
SMILESCC(=O)Cc1cccc(CN2CCN(C)CC(NC(=O)c3n[nH]c4ccccc34)C2)c1
InChIInChI=1S/C24H29N5O2/c1-17(30)12-18-6-5-7-19(13-18)14-29-11-10-28(2)15-20(16-29)25-24(31)23-21-8-3-4-9-22(21)26-27-23/h3-9,13,20H,10-12,14-16H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyZJBDQWNJJKEBFV-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.24
Rot. Bonds6

About N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide

N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide (PubChem CID 139640143) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
PubChem CID139640143
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
SMILESCC(=O)Cc1cccc(CN2CCN(C)CC(NC(=O)c3n[nH]c4ccccc34)C2)c1
InChIInChI=1S/C24H29N5O2/c1-17(30)12-18-6-5-7-19(13-18)14-29-11-10-28(2)15-20(16-29)25-24(31)23-21-8-3-4-9-22(21)26-27-23/h3-9,13,20H,10-12,14-16H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyZJBDQWNJJKEBFV-UHFFFAOYSA-N
XLogP2.24
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-fluoro-N-[1-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 139640144
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carbothioamide
CID 10499946
N-[3-methyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 67767658
N-[3-methyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide;dihydrochloride
CID 67767657
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[1-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,4-diazepan-6-yl]acetamide
CID 139640142
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
CID 10670346
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide (CID 139640143) is N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide is CC(=O)Cc1cccc(CN2CCN(C)CC(NC(=O)c3n[nH]c4ccccc34)C2)c1.
What is the InChIKey of N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide?
The InChIKey is ZJBDQWNJJKEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(30)12-18-6-5-7-19(13-18)14-29-11-10-28(2)15-20(16-29)25-24(31)23-21-8-3-4-9-22(21)26-27-23/h3-9,13,20H,10-12,14-16H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide?
N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139640143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).