2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol

C14H17N5OS — CID 166905459

IUPAC2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12
InChIInChI=1S/C14H17N5OS/c1-2-8(7-20)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9/h3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeySSYFTJLPONOARR-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.45
Rot. Bonds5

About 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol

2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol (PubChem CID 166905459) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
PubChem CID166905459
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12
InChIInChI=1S/C14H17N5OS/c1-2-8(7-20)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9/h3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18)
InChIKeySSYFTJLPONOARR-UHFFFAOYSA-N
XLogP2.45
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The IUPAC name of 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol (CID 166905459) is 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol is CCC(CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.
What is the InChIKey of 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol?
The InChIKey is SSYFTJLPONOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-8(7-20)17-11-6-13(15)18-10-5-12(21-14(10)11)9-3-4-16-19-9/h3-6,8,20H,2,7H2,1H3,(H,16,19)(H3,15,17,18).
What are the key properties of 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol?
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol has a molecular weight of 303.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol is sourced from PubChem (CID 166905459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).