4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one

C19H21N9O3 — CID 67535097

IUPAC4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nnc(Cc4n[nH]c(C)n4)o3)cnc21
InChIInChI=1S/C19H21N9O3/c1-3-28-18-12(9-21-28)17(23-11-4-5-30-16(29)6-11)13(8-20-18)19-27-26-15(31-19)7-14-22-10(2)24-25-14/h8-9,11H,3-7H2,1-2H3,(H,20,23)(H,22,24,25)
InChIKeyUHNRAIDVLRUYKF-UHFFFAOYSA-N
MW423.44 g/mol
LogP1.64
Rot. Bonds6

About 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one

4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one (PubChem CID 67535097) has the molecular formula C19H21N9O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one.

Molecular Properties

Compound Name4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
PubChem CID67535097
Molecular FormulaC19H21N9O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
SMILESCCn1ncc2c(NC3CCOC(=O)C3)c(-c3nnc(Cc4n[nH]c(C)n4)o3)cnc21
InChIInChI=1S/C19H21N9O3/c1-3-28-18-12(9-21-28)17(23-11-4-5-30-16(29)6-11)13(8-20-18)19-27-26-15(31-19)7-14-22-10(2)24-25-14/h8-9,11H,3-7H2,1-2H3,(H,20,23)(H,22,24,25)
InChIKeyUHNRAIDVLRUYKF-UHFFFAOYSA-N
XLogP1.64
TPSA149.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-[5-[(1-acetylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535722
N-[[5-[1-ethyl-4-[(2-oxooxan-4-yl)amino]pyrazolo[3,4-b]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]-N-methylacetamide
CID 67534592
4-[[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535279
1-ethyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 10477562
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966
4-[[1-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535524
1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10386157
1-ethyl-N-(oxan-4-yl)-5-[5-(tetrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10046271
4-[[1-ethyl-5-[3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67535958
1-ethyl-5-[5-(3-methyloxetan-3-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 10091416
[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 59683229
2-[5-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]-1-piperidin-1-ylethanone
CID 10048838

Frequently Asked Questions

What is the IUPAC name of 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The IUPAC name of 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one (CID 67535097) is 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one.
What is the SMILES notation for 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The canonical SMILES for 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one is CCn1ncc2c(NC3CCOC(=O)C3)c(-c3nnc(Cc4n[nH]c(C)n4)o3)cnc21.
What is the InChIKey of 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
The InChIKey is UHNRAIDVLRUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O3/c1-3-28-18-12(9-21-28)17(23-11-4-5-30-16(29)6-11)13(8-20-18)19-27-26-15(31-19)7-14-22-10(2)24-25-14/h8-9,11H,3-7H2,1-2H3,(H,20,23)(H,22,24,25).
What are the key properties of 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one?
4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one has a molecular weight of 423.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-ethyl-5-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one is sourced from PubChem (CID 67535097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).