N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide

C26H33N5O — CID 10670346

IUPACN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)c2nn(C3CCCC3)c3ccccc23)C1
InChIInChI=1S/C26H33N5O/c1-29-15-16-30(17-20-9-3-2-4-10-20)19-21(18-29)27-26(32)25-23-13-7-8-14-24(23)31(28-25)22-11-5-6-12-22/h2-4,7-10,13-14,21-22H,5-6,11-12,15-19H2,1H3,(H,27,32)
InChIKeyUSYGFGZBAVRWFX-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.70
Rot. Bonds5

About N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide

N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide (PubChem CID 10670346) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
PubChem CID10670346
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)c2nn(C3CCCC3)c3ccccc23)C1
InChIInChI=1S/C26H33N5O/c1-29-15-16-30(17-20-9-3-2-4-10-20)19-21(18-29)27-26(32)25-23-13-7-8-14-24(23)31(28-25)22-11-5-6-12-22/h2-4,7-10,13-14,21-22H,5-6,11-12,15-19H2,1H3,(H,27,32)
InChIKeyUSYGFGZBAVRWFX-UHFFFAOYSA-N
XLogP3.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 139640143
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carbothioamide
CID 10499946
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846066
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119855950
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846044
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
CID 10808784
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-methoxy-3aH-indazole-3-carboxamide
CID 10524628

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide (CID 10670346) is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide is CN1CCN(Cc2ccccc2)CC(NC(=O)c2nn(C3CCCC3)c3ccccc23)C1.
What is the InChIKey of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide?
The InChIKey is USYGFGZBAVRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-29-15-16-30(17-20-9-3-2-4-10-20)19-21(18-29)27-26(32)25-23-13-7-8-14-24(23)31(28-25)22-11-5-6-12-22/h2-4,7-10,13-14,21-22H,5-6,11-12,15-19H2,1H3,(H,27,32).
What are the key properties of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide?
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide is sourced from PubChem (CID 10670346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).