6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid

C20H18N4O5 — CID 170350265

IUPAC6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid
SMILESCOc1ccc(CN2C(=O)CCN(c3ccc4cnn(C(=O)O)c4c3)C2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-29-16-6-2-13(3-7-16)12-23-18(25)8-9-22(19(23)26)15-5-4-14-11-21-24(20(27)28)17(14)10-15/h2-7,10-11H,8-9,12H2,1H3,(H,27,28)
InChIKeyOLJRRFGPSRSSGA-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.93
Rot. Bonds4

About 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid

6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid (PubChem CID 170350265) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid.

Molecular Properties

Compound Name6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid
PubChem CID170350265
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid
SMILESCOc1ccc(CN2C(=O)CCN(c3ccc4cnn(C(=O)O)c4c3)C2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-29-16-6-2-13(3-7-16)12-23-18(25)8-9-22(19(23)26)15-5-4-14-11-21-24(20(27)28)17(14)10-15/h2-7,10-11H,8-9,12H2,1H3,(H,27,28)
InChIKeyOLJRRFGPSRSSGA-UHFFFAOYSA-N
XLogP2.93
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromo-4-pyridinyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 176890550
1-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 166113645
1-[4-(dimethoxymethyl)phenyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 170325554
1-[3-(2,2-dimethoxyethoxy)phenyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 170787889
3-[(4-methoxyphenyl)methyl]-1-(7-piperidin-1-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
CID 172811457
tert-butyl 4-[3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175959321
2-[1-[3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetaldehyde
CID 175959334
tert-butyl 3,3-difluoro-4-[4-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]phenyl]piperidine-1-carboxylate
CID 170737547
dicesium;1-(5-bromo-1,2-benzoxazol-3-yl)-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione;carbonate
CID 175793688
1-[(4-bromo-3-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 170735850
tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
CID 59781293
1-[4-[4-(3-ethylcyclobutyl)piperazin-1-yl]-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 177363693

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid?
The IUPAC name of 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid (CID 170350265) is 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid.
What is the SMILES notation for 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid?
The canonical SMILES for 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid is COc1ccc(CN2C(=O)CCN(c3ccc4cnn(C(=O)O)c4c3)C2=O)cc1.
What is the InChIKey of 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid?
The InChIKey is OLJRRFGPSRSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-29-16-6-2-13(3-7-16)12-23-18(25)8-9-22(19(23)26)15-5-4-14-11-21-24(20(27)28)17(14)10-15/h2-7,10-11H,8-9,12H2,1H3,(H,27,28).
What are the key properties of 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid?
6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid has a molecular weight of 394.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]indazole-1-carboxylic acid is sourced from PubChem (CID 170350265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).