3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol

C23H33N5O2S — CID 154684734

IUPAC3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C23H33N5O2S/c1-23(2,3)26-20-15-18(27(4)11-7-12-29)22-16(25-20)14-19(31-22)17-9-10-24-28(17)21-8-5-6-13-30-21/h9-10,14-15,21,29H,5-8,11-13H2,1-4H3,(H,25,26)
InChIKeyOKPDLJWPKZAYBM-UHFFFAOYSA-N
MW443.62 g/mol
LogP4.89
Rot. Bonds7

About 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol

3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol (PubChem CID 154684734) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol
PubChem CID154684734
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Name3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C23H33N5O2S/c1-23(2,3)26-20-15-18(27(4)11-7-12-29)22-16(25-20)14-19(31-22)17-9-10-24-28(17)21-8-5-6-13-30-21/h9-10,14-15,21,29H,5-8,11-13H2,1-4H3,(H,25,26)
InChIKeyOKPDLJWPKZAYBM-UHFFFAOYSA-N
XLogP4.89
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol (CID 154684734) is 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol is CN(CCCO)c1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol?
The InChIKey is OKPDLJWPKZAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c1-23(2,3)26-20-15-18(27(4)11-7-12-29)22-16(25-20)14-19(31-22)17-9-10-24-28(17)21-8-5-6-13-30-21/h9-10,14-15,21,29H,5-8,11-13H2,1-4H3,(H,25,26).
What are the key properties of 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol?
3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol has a molecular weight of 443.62 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 154684734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).