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

C18H23N5O2S — CID 154684714

IUPAC(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C18H23N5O2S/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22)/t11-,17?/m1/s1
InChIKeyCYPUVFWSBABQNZ-VCQTYVLVSA-N
MW373.48 g/mol
LogP3.23
Rot. Bonds5

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

(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol (PubChem CID 154684714) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol
PubChem CID154684714
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12
InChIInChI=1S/C18H23N5O2S/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22)/t11-,17?/m1/s1
InChIKeyCYPUVFWSBABQNZ-VCQTYVLVSA-N
XLogP3.23
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-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 (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol (CID 154684714) is (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol is C[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.
What is the InChIKey of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol?
The InChIKey is CYPUVFWSBABQNZ-VCQTYVLVSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22)/t11-,17?/m1/s1.
What are the key properties of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol?
(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol has a molecular weight of 373.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 154684714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).