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

C21H30N8O2 — CID 10477562

IUPAC1-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
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(CN4CCN(C)CC4)o3)cnc21
InChIInChI=1S/C21H30N8O2/c1-3-29-20-16(13-23-29)19(24-15-4-10-30-11-5-15)17(12-22-20)21-26-25-18(31-21)14-28-8-6-27(2)7-9-28/h12-13,15H,3-11,14H2,1-2H3,(H,22,24)
InChIKeyPNIDTSWGLZJDPB-UHFFFAOYSA-N
MW426.53 g/mol
LogP1.84
Rot. Bonds6

About 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

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 (PubChem CID 10477562) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID10477562
Molecular FormulaC21H30N8O2
Molecular Weight426.53 g/mol
Exact Mass426.25
IUPAC Name1-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
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(CN4CCN(C)CC4)o3)cnc21
InChIInChI=1S/C21H30N8O2/c1-3-29-20-16(13-23-29)19(24-15-4-10-30-11-5-15)17(12-22-20)21-26-25-18(31-21)14-28-8-6-27(2)7-9-28/h12-13,15H,3-11,14H2,1-2H3,(H,22,24)
InChIKeyPNIDTSWGLZJDPB-UHFFFAOYSA-N
XLogP1.84
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-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
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966
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
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
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
5-(chloromethyl)-1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 67031384
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
1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 163547550
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91176499
N-[(4-carbamoylphenyl)methyl]-2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazole-4-carboxamide
CID 10028491

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1ncc2c(NC3CCOCC3)c(-c3nnc(CN4CCN(C)CC4)o3)cnc21.
What is the InChIKey of 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?
The InChIKey is PNIDTSWGLZJDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-3-29-20-16(13-23-29)19(24-15-4-10-30-11-5-15)17(12-22-20)21-26-25-18(31-21)14-28-8-6-27(2)7-9-28/h12-13,15H,3-11,14H2,1-2H3,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 426.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10477562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).