1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

C15H20N4O — CID 114539393

IUPAC1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cn[nH]c3c2)CC(C)N1C
InChIInChI=1S/C15H20N4O/c1-10-8-19(9-11(2)18(10)3)15(20)12-4-5-13-7-16-17-14(13)6-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDUHGTMHLGMCFDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds1

About 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114539393) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114539393
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cn[nH]c3c2)CC(C)N1C
InChIInChI=1S/C15H20N4O/c1-10-8-19(9-11(2)18(10)3)15(20)12-4-5-13-7-16-17-14(13)6-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDUHGTMHLGMCFDF-UHFFFAOYSA-N
XLogP1.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114539393) is 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc3cn[nH]c3c2)CC(C)N1C.
What is the InChIKey of 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is DUHGTMHLGMCFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-8-19(9-11(2)18(10)3)15(20)12-4-5-13-7-16-17-14(13)6-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114539393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).