N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide

C20H22N4O — CID 71913375

IUPACN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1
InChIInChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23)
InChIKeyJRCSKSWJUDRZKK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide

N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide (PubChem CID 71913375) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
PubChem CID71913375
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1
InChIInChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23)
InChIKeyJRCSKSWJUDRZKK-UHFFFAOYSA-N
XLogP3.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351
3-1H-indazol-4-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
CID 22337600
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
CID 135124681
N-(1H-indazol-5-yl)acetamide
CID 17164245
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748250
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-(trifluoromethyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749353
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749566
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide (CID 71913375) is N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(NCc2cccc3cn[nH]c23)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
The InChIKey is JRCSKSWJUDRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(25)24(19-9-10-19)13-15-5-7-18(8-6-15)21-11-16-3-2-4-17-12-22-23-20(16)17/h2-8,12,19,21H,9-11,13H2,1H3,(H,22,23).
What are the key properties of N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide?
N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 71913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).