N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C21H20N6O4 — CID 25106293

IUPACN-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc3nn(C)cc3c2)c1=O
InChIInChI=1S/C21H20N6O4/c1-13(28)22-16-5-4-6-17(10-16)27-21(30)26(20(29)19(24-27)31-3)11-14-7-8-18-15(9-14)12-25(2)23-18/h4-10,12H,11H2,1-3H3,(H,22,28)
InChIKeyHJEKNRCJTBEJEZ-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.30
Rot. Bonds5

About N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25106293) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25106293
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC NameN-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc3nn(C)cc3c2)c1=O
InChIInChI=1S/C21H20N6O4/c1-13(28)22-16-5-4-6-17(10-16)27-21(30)26(20(29)19(24-27)31-3)11-14-7-8-18-15(9-14)12-25(2)23-18/h4-10,12H,11H2,1-3H3,(H,22,28)
InChIKeyHJEKNRCJTBEJEZ-UHFFFAOYSA-N
XLogP1.30
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide
CID 164633431
N-[3-fluoro-4-(1-piperidinyl)benzyl]-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337698
N-[2-fluoro-5-[6-methoxy-3,5-dioxo-4-(quinolin-6-ylmethyl)-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68699346
N-[2-fluoro-5-[6-methoxy-3,5-dioxo-4-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68703930
N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68703933
tert-butyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate
CID 68862866
2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate
CID 68862867
N-[2-fluoro-5-[6-methoxy-3,5-dioxo-4-(quinolin-8-ylmethyl)-1,2,4-triazin-2-yl]phenyl]acetamide
CID 118863698
N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide
CID 92610922
1-(1-Ethylindazol-6-yl)-3-(2-phenylpropyl)urea
CID 51128817

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25106293) is N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is COc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc3nn(C)cc3c2)c1=O.
What is the InChIKey of N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is HJEKNRCJTBEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-13(28)22-16-5-4-6-17(10-16)27-21(30)26(20(29)19(24-27)31-3)11-14-7-8-18-15(9-14)12-25(2)23-18/h4-10,12H,11H2,1-3H3,(H,22,28).
What are the key properties of N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 420.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25106293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).