benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate

C24H26N6O4 — CID 171565750

IUPACbenzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc21
InChIInChI=1S/C24H26N6O4/c1-27-20-15-18(7-8-19(20)22(26-27)30-10-9-21(31)25-23(30)32)28-11-13-29(14-12-28)24(33)34-16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,25,31,32)
InChIKeySIIIBMBFOGUNHO-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.48
Rot. Bonds4

About benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate

benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate (PubChem CID 171565750) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
PubChem CID171565750
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namebenzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc21
InChIInChI=1S/C24H26N6O4/c1-27-20-15-18(7-8-19(20)22(26-27)30-10-9-21(31)25-23(30)32)28-11-13-29(14-12-28)24(33)34-16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,25,31,32)
InChIKeySIIIBMBFOGUNHO-UHFFFAOYSA-N
XLogP2.48
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

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-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178015377
benzyl 4-(2-oxo-1,3-dihydroindol-5-yl)piperazine-1-carboxylate
CID 110414727
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 155769118
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
benzyl (3R,5S)-4-[2-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]oxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166552814
benzyl 4-[3,4-bis(methoxymethoxy)phenyl]piperazine-1-carboxylate
CID 176656702
benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate
CID 133060815
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate (CID 171565750) is benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate is Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc21.
What is the InChIKey of benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate?
The InChIKey is SIIIBMBFOGUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-27-20-15-18(7-8-19(20)22(26-27)30-10-9-21(31)25-23(30)32)28-11-13-29(14-12-28)24(33)34-16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,25,31,32).
What are the key properties of benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate?
benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 171565750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).