1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C17H22N6O3 — CID 171072865

IUPAC1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(NC3CCN(O)CC3)cc21
InChIInChI=1S/C17H22N6O3/c1-21-14-10-12(18-11-4-7-22(26)8-5-11)2-3-13(14)16(20-21)23-9-6-15(24)19-17(23)25/h2-3,10-11,18,26H,4-9H2,1H3,(H,19,24,25)
InChIKeyCNVGBFFFQKZIIQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.29
Rot. Bonds3

About 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171072865) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171072865
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(NC3CCN(O)CC3)cc21
InChIInChI=1S/C17H22N6O3/c1-21-14-10-12(18-11-4-7-22(26)8-5-11)2-3-13(14)16(20-21)23-9-6-15(24)19-17(23)25/h2-3,10-11,18,26H,4-9H2,1H3,(H,19,24,25)
InChIKeyCNVGBFFFQKZIIQ-UHFFFAOYSA-N
XLogP1.29
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

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
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
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
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
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetic acid
CID 156505877
1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178017652
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178015377
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 171072865) is 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(NC3CCN(O)CC3)cc21.
What is the InChIKey of 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CNVGBFFFQKZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-21-14-10-12(18-11-4-7-22(26)8-5-11)2-3-13(14)16(20-21)23-9-6-15(24)19-17(23)25/h2-3,10-11,18,26H,4-9H2,1H3,(H,19,24,25).
What are the key properties of 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171072865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).