1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

C20H26N6O3 — CID 10386157

IUPAC1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(C4CCOCC4)o3)cnc21
InChIInChI=1S/C20H26N6O3/c1-2-26-18-15(12-22-26)17(23-14-5-9-28-10-6-14)16(11-21-18)20-25-24-19(29-20)13-3-7-27-8-4-13/h11-14H,2-10H2,1H3,(H,21,23)
InChIKeyDGUMUMKJVDPEIP-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.99
Rot. Bonds5

About 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 10386157) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID10386157
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(-c3nnc(C4CCOCC4)o3)cnc21
InChIInChI=1S/C20H26N6O3/c1-2-26-18-15(12-22-26)17(23-14-5-9-28-10-6-14)16(11-21-18)20-25-24-19(29-20)13-3-7-27-8-4-13/h11-14H,2-10H2,1H3,(H,21,23)
InChIKeyDGUMUMKJVDPEIP-UHFFFAOYSA-N
XLogP2.99
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-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
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
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966
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
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
[7-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-7-en-2-yl]methanol
CID 91479436
[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 59683229
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 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) is 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCOCC3)c(-c3nnc(C4CCOCC4)o3)cnc21.
What is the InChIKey of 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is DGUMUMKJVDPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-2-26-18-15(12-22-26)17(23-14-5-9-28-10-6-14)16(11-21-18)20-25-24-19(29-20)13-3-7-27-8-4-13/h11-14H,2-10H2,1H3,(H,21,23).
What are the key properties of 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-4-yl)-5-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 10386157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).