3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one

C20H18N8O3 — CID 139486627

IUPAC3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCc1cnn2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6cn[nH]c6c5)C4)no3)c(=O)c12
InChIInChI=1S/C20H18N8O3/c1-11-6-22-28-18(11)20(29)27(10-23-28)8-17-24-19(26-31-17)14-5-16(30-9-14)12-2-3-13-7-21-25-15(13)4-12/h2-4,6-7,10,14,16H,5,8-9H2,1H3,(H,21,25)/t14-,16+/m0/s1
InChIKeyWTGZNWPLWZWQKH-GOEBONIOSA-N
MW418.42 g/mol
LogP1.75
Rot. Bonds4

About 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one

3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one (PubChem CID 139486627) has the molecular formula C20H18N8O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
PubChem CID139486627
Molecular FormulaC20H18N8O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCc1cnn2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6cn[nH]c6c5)C4)no3)c(=O)c12
InChIInChI=1S/C20H18N8O3/c1-11-6-22-28-18(11)20(29)27(10-23-28)8-17-24-19(26-31-17)14-5-16(30-9-14)12-2-3-13-7-21-25-15(13)4-12/h2-4,6-7,10,14,16H,5,8-9H2,1H3,(H,21,25)/t14-,16+/m0/s1
InChIKeyWTGZNWPLWZWQKH-GOEBONIOSA-N
XLogP1.75
TPSA129.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile
CID 155621060
1-[[3-[(5R)-5-(3-fluoro-4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 153344999
7-methyl-1-[[3-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 139486450
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(dimethylamino)-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 139486454
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 157095916
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-deuterio-7-methylpurin-6-one
CID 139486536
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(difluoromethyl)-7-methylpurin-6-one
CID 139486507
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 139486601
5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carbonitrile
CID 139494952
3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
CID 142422153
5-methyl-3-[[3-[(3R,5R)-5-(1-methylindazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,4a,5,6,7-hexahydropyrazolo[5,1-f][1,2,4]triazin-4-one
CID 155883557

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one (CID 139486627) is 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one is Cc1cnn2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6cn[nH]c6c5)C4)no3)c(=O)c12.
What is the InChIKey of 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is WTGZNWPLWZWQKH-GOEBONIOSA-N. The full InChI is InChI=1S/C20H18N8O3/c1-11-6-22-28-18(11)20(29)27(10-23-28)8-17-24-19(26-31-17)14-5-16(30-9-14)12-2-3-13-7-21-25-15(13)4-12/h2-4,6-7,10,14,16H,5,8-9H2,1H3,(H,21,25)/t14-,16+/m0/s1.
What are the key properties of 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 418.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 139486627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).