[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone

C24H27N5O2 — CID 162299022

IUPAC[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone
SMILESCc1cc(-c2[nH]nc3c(C)cccc23)ccc1C(=O)N1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C24H27N5O2/c1-15-4-3-5-19-20(15)26-27-21(19)17-6-7-18(16(2)14-17)22(30)28-10-12-29(13-11-28)23(31)24(25)8-9-24/h3-7,14H,8-13,25H2,1-2H3,(H,26,27)
InChIKeyKJHHPMAOPXLCET-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.62
Rot. Bonds3

About [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone (PubChem CID 162299022) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone
PubChem CID162299022
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone
SMILESCc1cc(-c2[nH]nc3c(C)cccc23)ccc1C(=O)N1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C24H27N5O2/c1-15-4-3-5-19-20(15)26-27-21(19)17-6-7-18(16(2)14-17)22(30)28-10-12-29(13-11-28)23(31)24(25)8-9-24/h3-7,14H,8-13,25H2,1-2H3,(H,26,27)
InChIKeyKJHHPMAOPXLCET-UHFFFAOYSA-N
XLogP2.62
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone 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

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639745
[4-[6-(4-hydroxy-3,5-dimethylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 135962690
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;hydrochloride
CID 119736799
(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 146102333
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 75495968
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 119333628
[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58582442
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[4-[3-(2-cyclopropylprop-2-enyl)phenyl]-2-methylphenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157181660
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone (CID 162299022) is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone is Cc1cc(-c2[nH]nc3c(C)cccc23)ccc1C(=O)N1CCN(C(=O)C2(N)CC2)CC1.
What is the InChIKey of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone?
The InChIKey is KJHHPMAOPXLCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-4-3-5-19-20(15)26-27-21(19)17-6-7-18(16(2)14-17)22(30)28-10-12-29(13-11-28)23(31)24(25)8-9-24/h3-7,14H,8-13,25H2,1-2H3,(H,26,27).
What are the key properties of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone?
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone has a molecular weight of 417.51 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-methyl-4-(7-methyl-2H-indazol-3-yl)phenyl]methanone is sourced from PubChem (CID 162299022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).