methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

C22H33N5O3 — CID 166116682

IUPACmethoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1.COC
InChIInChI=1S/C20H27N5O2.C2H6O/c1-13(2)24-9-6-14(7-10-24)15-4-5-16-17(12-15)23(3)22-19(16)25-11-8-18(26)21-20(25)27;1-3-2/h4-5,12-14H,6-11H2,1-3H3,(H,21,26,27);1-2H3
InChIKeyNCMIBONWJKZEAR-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.87
Rot. Bonds3

About methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 166116682) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Namemethoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID166116682
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Namemethoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1.COC
InChIInChI=1S/C20H27N5O2.C2H6O/c1-13(2)24-9-6-14(7-10-24)15-4-5-16-17(12-15)23(3)22-19(16)25-11-8-18(26)21-20(25)27;1-3-2/h4-5,12-14H,6-11H2,1-3H3,(H,21,26,27);1-2H3
InChIKeyNCMIBONWJKZEAR-UHFFFAOYSA-N
XLogP2.87
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one
CID 178175098
2-[7-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-4-azaspiro[2.5]octan-4-yl]acetic acid
CID 156506037
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
1-[1-methyl-6-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170586532
cyclohexanamine;1-[1-methyl-6-[1-[(3-sulfanylphenyl)methyl]piperidin-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 178004608
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 177160946
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
1-[6-[1-[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylbutyl]piperidin-4-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178017743
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 166116682) is methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is CC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1.COC.
What is the InChIKey of methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is NCMIBONWJKZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.C2H6O/c1-13(2)24-9-6-14(7-10-24)15-4-5-16-17(12-15)23(3)22-19(16)25-11-8-18(26)21-20(25)27;1-3-2/h4-5,12-14H,6-11H2,1-3H3,(H,21,26,27);1-2H3.
What are the key properties of methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 415.54 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166116682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).