4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid

C17H19N5O4 — CID 170350438

IUPAC4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C1CCN(c2ccc3cn(C4CCN(C(=O)O)CC4)nc3c2)C(=O)N1
InChIInChI=1S/C17H19N5O4/c23-15-5-8-21(16(24)18-15)13-2-1-11-10-22(19-14(11)9-13)12-3-6-20(7-4-12)17(25)26/h1-2,9-10,12H,3-8H2,(H,25,26)(H,18,23,24)
InChIKeyKJOKZXZCSOPTEC-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.80
Rot. Bonds2

About 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid

4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 170350438) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
PubChem CID170350438
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C1CCN(c2ccc3cn(C4CCN(C(=O)O)CC4)nc3c2)C(=O)N1
InChIInChI=1S/C17H19N5O4/c23-15-5-8-21(16(24)18-15)13-2-1-11-10-22(19-14(11)9-13)12-3-6-20(7-4-12)17(25)26/h1-2,9-10,12H,3-8H2,(H,25,26)(H,18,23,24)
InChIKeyKJOKZXZCSOPTEC-UHFFFAOYSA-N
XLogP1.80
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylic acid
CID 170350336
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
CID 168870495
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid
CID 170350514
7-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 170350197
2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid
CID 176508898
N-[2-[1-[1-[(3R)-1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170436458
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
N-[[4-[6-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]propyl]piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767820
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051246
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid (CID 170350438) is 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid is O=C1CCN(c2ccc3cn(C4CCN(C(=O)O)CC4)nc3c2)C(=O)N1.
What is the InChIKey of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is KJOKZXZCSOPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-15-5-8-21(16(24)18-15)13-2-1-11-10-22(19-14(11)9-13)12-3-6-20(7-4-12)17(25)26/h1-2,9-10,12H,3-8H2,(H,25,26)(H,18,23,24).
What are the key properties of 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid?
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170350438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).