1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

C21H29N5O2 — CID 170931697

IUPAC1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1cc2c(N3CCC(=O)NC3=O)nn(C)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N5O2/c1-13(2)25-8-5-15(6-9-25)16-12-18-17(11-14(16)3)20(23-24(18)4)26-10-7-19(27)22-21(26)28/h11-13,15H,5-10H2,1-4H3,(H,22,27,28)
InChIKeyUSVZVEZFGATCGL-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.92
Rot. Bonds3

About 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170931697) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170931697
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1cc2c(N3CCC(=O)NC3=O)nn(C)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N5O2/c1-13(2)25-8-5-15(6-9-25)16-12-18-17(11-14(16)3)20(23-24(18)4)26-10-7-19(27)22-21(26)28/h11-13,15H,5-10H2,1-4H3,(H,22,27,28)
InChIKeyUSVZVEZFGATCGL-UHFFFAOYSA-N
XLogP2.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
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
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
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
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 172590089
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 170931697) is 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is Cc1cc2c(N3CCC(=O)NC3=O)nn(C)c2cc1C1CCN(C(C)C)CC1.
What is the InChIKey of 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is USVZVEZFGATCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13(2)25-8-5-15(6-9-25)16-12-18-17(11-14(16)3)20(23-24(18)4)26-10-7-19(27)22-21(26)28/h11-13,15H,5-10H2,1-4H3,(H,22,27,28).
What are the key properties of 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 383.50 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170931697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).