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

C19H25N5O2 — CID 166116668

IUPAC1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)C1
InChIInChI=1S/C19H25N5O2/c1-12(2)23-8-6-14(11-23)13-4-5-15-16(10-13)22(3)21-18(15)24-9-7-17(25)20-19(24)26/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,20,25,26)
InChIKeyBODOBXUYYJYMGR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.22
Rot. Bonds3

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

1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 166116668) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID166116668
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)C1
InChIInChI=1S/C19H25N5O2/c1-12(2)23-8-6-14(11-23)13-4-5-15-16(10-13)22(3)21-18(15)24-9-7-17(25)20-19(24)26/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,20,25,26)
InChIKeyBODOBXUYYJYMGR-UHFFFAOYSA-N
XLogP2.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
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
cyclohexanamine;1-[1-methyl-6-[1-[(3-sulfanylphenyl)methyl]piperidin-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 178004608
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
2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetic acid
CID 156505877
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
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-[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 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 166116668) is 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is CC(C)N1CCC(c2ccc3c(N4CCC(=O)NC4=O)nn(C)c3c2)C1.
What is the InChIKey of 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is BODOBXUYYJYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)23-8-6-14(11-23)13-4-5-15-16(10-13)22(3)21-18(15)24-9-7-17(25)20-19(24)26/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,20,25,26).
What are the key properties of 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166116668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).