N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide

C19H24N6O2S — CID 154684715

IUPACN-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H24N6O2S/c1-12(26)21-7-8-22-13-11-17(20)24-14-10-16(28-19(13)14)15-5-6-23-25(15)18-4-2-3-9-27-18/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,21,26)(H3,20,22,24)
InChIKeyXNOIOXOMJUZDSD-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide

N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide (PubChem CID 154684715) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide
PubChem CID154684715
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC NameN-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H24N6O2S/c1-12(26)21-7-8-22-13-11-17(20)24-14-10-16(28-19(13)14)15-5-6-23-25(15)18-4-2-3-9-27-18/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,21,26)(H3,20,22,24)
InChIKeyXNOIOXOMJUZDSD-UHFFFAOYSA-N
XLogP2.99
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide (CID 154684715) is N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide?
The InChIKey is XNOIOXOMJUZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-12(26)21-7-8-22-13-11-17(20)24-14-10-16(28-19(13)14)15-5-6-23-25(15)18-4-2-3-9-27-18/h5-6,10-11,18H,2-4,7-9H2,1H3,(H,21,26)(H3,20,22,24).
What are the key properties of N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide?
N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide has a molecular weight of 400.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide is sourced from PubChem (CID 154684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).