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

C19H25N5O2S — CID 154684758

IUPAC1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H25N5O2S/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23)
InChIKeyKBTHBSXYGIUWTC-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.62
Rot. Bonds5

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

1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol (PubChem CID 154684758) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol
PubChem CID154684758
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C19H25N5O2S/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23)
InChIKeyKBTHBSXYGIUWTC-UHFFFAOYSA-N
XLogP3.62
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol (CID 154684758) is 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol?
The InChIKey is KBTHBSXYGIUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-19(2,25)11-21-12-10-16(20)23-13-9-15(27-18(12)13)14-6-7-22-24(14)17-5-3-4-8-26-17/h6-7,9-10,17,25H,3-5,8,11H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol?
1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol has a molecular weight of 387.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 154684758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).