1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C23H33N7O2 — CID 178015377

IUPAC1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCN(CC1CCN(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1)C1CC(N)C1
InChIInChI=1S/C23H33N7O2/c1-27(18-11-16(24)12-18)14-15-5-8-29(9-6-15)17-3-4-19-20(13-17)28(2)26-22(19)30-10-7-21(31)25-23(30)32/h3-4,13,15-16,18H,5-12,14,24H2,1-2H3,(H,25,31,32)
InChIKeyVLYFUQQTSPERCZ-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.66
Rot. Bonds5

About 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 178015377) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID178015377
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCN(CC1CCN(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1)C1CC(N)C1
InChIInChI=1S/C23H33N7O2/c1-27(18-11-16(24)12-18)14-15-5-8-29(9-6-15)17-3-4-19-20(13-17)28(2)26-22(19)30-10-7-21(31)25-23(30)32/h3-4,13,15-16,18H,5-12,14,24H2,1-2H3,(H,25,31,32)
InChIKeyVLYFUQQTSPERCZ-UHFFFAOYSA-N
XLogP1.66
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-[6-[4-[[3-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]piperazin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171565815
benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 171565750
benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463707
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
tert-butyl 6-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 171565372
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
cyclohexanamine;1-[1-methyl-6-[1-[(3-sulfanylphenyl)methyl]piperidin-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 178004608
1-[6-[3-[[1-[3-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]sulfonylphenyl]piperidin-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171565371

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 178015377) is 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is CN(CC1CCN(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)CC1)C1CC(N)C1.
What is the InChIKey of 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is VLYFUQQTSPERCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-27(18-11-16(24)12-18)14-15-5-8-29(9-6-15)17-3-4-19-20(13-17)28(2)26-22(19)30-10-7-21(31)25-23(30)32/h3-4,13,15-16,18H,5-12,14,24H2,1-2H3,(H,25,31,32).
What are the key properties of 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 439.56 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178015377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).