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

C22H28N6O2S — CID 162784886

IUPACN-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide
SMILESNc1cc(NCCCNC(=O)C2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C22H28N6O2S/c23-19-13-15(24-8-3-9-25-22(29)14-5-6-14)21-16(27-19)12-18(31-21)17-7-10-26-28(17)20-4-1-2-11-30-20/h7,10,12-14,20H,1-6,8-9,11H2,(H,25,29)(H3,23,24,27)
InChIKeyHYWUEGLLQMVANG-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.77
Rot. Bonds8

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

N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide (PubChem CID 162784886) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide
PubChem CID162784886
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide
SMILESNc1cc(NCCCNC(=O)C2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C22H28N6O2S/c23-19-13-15(24-8-3-9-25-22(29)14-5-6-14)21-16(27-19)12-18(31-21)17-7-10-26-28(17)20-4-1-2-11-30-20/h7,10,12-14,20H,1-6,8-9,11H2,(H,25,29)(H3,23,24,27)
InChIKeyHYWUEGLLQMVANG-UHFFFAOYSA-N
XLogP3.77
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.77
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-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide (CID 162784886) is N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide is Nc1cc(NCCCNC(=O)C2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide?
The InChIKey is HYWUEGLLQMVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c23-19-13-15(24-8-3-9-25-22(29)14-5-6-14)21-16(27-19)12-18(31-21)17-7-10-26-28(17)20-4-1-2-11-30-20/h7,10,12-14,20H,1-6,8-9,11H2,(H,25,29)(H3,23,24,27).
What are the key properties of N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide?
N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 162784886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).