N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide

C16H20N6OS — CID 154684705

IUPACN-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12
InChIInChI=1S/C16H20N6OS/c1-10(23)22(2)7-3-5-18-12-9-15(17)20-13-8-14(24-16(12)13)11-4-6-19-21-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeyJQJGTNCRZHVCJY-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.55
Rot. Bonds6

About N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide

N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide (PubChem CID 154684705) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
PubChem CID154684705
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12
InChIInChI=1S/C16H20N6OS/c1-10(23)22(2)7-3-5-18-12-9-15(17)20-13-8-14(24-16(12)13)11-4-6-19-21-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,19,21)(H3,17,18,20)
InChIKeyJQJGTNCRZHVCJY-UHFFFAOYSA-N
XLogP2.55
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide (CID 154684705) is N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide is CC(=O)N(C)CCCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.
What is the InChIKey of N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
The InChIKey is JQJGTNCRZHVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10(23)22(2)7-3-5-18-12-9-15(17)20-13-8-14(24-16(12)13)11-4-6-19-21-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,19,21)(H3,17,18,20).
What are the key properties of N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide?
N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-N-methylacetamide is sourced from PubChem (CID 154684705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).