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

C24H35N5O2S — CID 154684708

IUPAC3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C24H35N5O2S/c1-23(2,3)28-20-13-16(25-14-24(4,5)15-30)22-17(27-20)12-19(32-22)18-9-10-26-29(18)21-8-6-7-11-31-21/h9-10,12-13,21,30H,6-8,11,14-15H2,1-5H3,(H2,25,27,28)
InChIKeyPMTZNINCNYCSGH-UHFFFAOYSA-N
MW457.64 g/mol
LogP5.50
Rot. Bonds7

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

3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 154684708) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 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]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID154684708
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC Name3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C24H35N5O2S/c1-23(2,3)28-20-13-16(25-14-24(4,5)15-30)22-17(27-20)12-19(32-22)18-9-10-26-29(18)21-8-6-7-11-31-21/h9-10,12-13,21,30H,6-8,11,14-15H2,1-5H3,(H2,25,27,28)
InChIKeyPMTZNINCNYCSGH-UHFFFAOYSA-N
XLogP5.50
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]amino]-2,2-dimethylpropan-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]amino]-2,2-dimethylpropan-1-ol (CID 154684708) is 3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-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]amino]-2,2-dimethylpropan-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]amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cc(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]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is PMTZNINCNYCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2S/c1-23(2,3)28-20-13-16(25-14-24(4,5)15-30)22-17(27-20)12-19(32-22)18-9-10-26-29(18)21-8-6-7-11-31-21/h9-10,12-13,21,30H,6-8,11,14-15H2,1-5H3,(H2,25,27,28).
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]amino]-2,2-dimethylpropan-1-ol?
3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 457.64 g/mol, XLogP of 5.50, 7 rotatable bonds, 3 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]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 154684708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).