2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol

C26H25F4N7OS — CID 164709892

IUPAC2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(O)C(F)(F)F)c5s4)n3)nc1)C2
InChIInChI=1S/C26H25F4N7OS/c1-3-36-11-25(12-36)13-37(14-25)15-4-5-20(32-9-15)34-23-33-10-17(27)21(35-23)19-8-18-22(39-19)16(6-7-31-18)24(2,38)26(28,29)30/h4-10,38H,3,11-14H2,1-2H3,(H,32,33,34,35)
InChIKeyHKBSPUKNGCBNCV-UHFFFAOYSA-N
MW559.59 g/mol
LogP4.94
Rot. Bonds6

About 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol

2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 164709892) has the molecular formula C26H25F4N7OS and a molecular weight of 559.59 g/mol. Its IUPAC name is 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID164709892
Molecular FormulaC26H25F4N7OS
Molecular Weight559.59 g/mol
Exact Mass559.18
IUPAC Name2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(O)C(F)(F)F)c5s4)n3)nc1)C2
InChIInChI=1S/C26H25F4N7OS/c1-3-36-11-25(12-36)13-37(14-25)15-4-5-20(32-9-15)34-23-33-10-17(27)21(35-23)19-8-18-22(39-19)16(6-7-31-18)24(2,38)26(28,29)30/h4-10,38H,3,11-14H2,1-2H3,(H,32,33,34,35)
InChIKeyHKBSPUKNGCBNCV-UHFFFAOYSA-N
XLogP4.94
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.59
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-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

Related Compounds

4-(5-Methylpyridin-2-yl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 72841751
US11685744, Example 32
CID 164709719
US11685744, Example 15
CID 164709763
US11685744, Example 25
CID 164709769
US11685744, Example 29
CID 164709783
US11685744, Example 27
CID 164709832
US11685744, Example 23
CID 164709853
US11685744, Example 102
CID 164709858
US11685744, Example 17
CID 164709910
US11685744, Example 21
CID 164709954
2-(2-(6-Fluoropyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol
CID 59829365
2-[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59829392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol (CID 164709892) is 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(O)C(F)(F)F)c5s4)n3)nc1)C2.
What is the InChIKey of 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HKBSPUKNGCBNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7OS/c1-3-36-11-25(12-36)13-37(14-25)15-4-5-20(32-9-15)34-23-33-10-17(27)21(35-23)19-8-18-22(39-19)16(6-7-31-18)24(2,38)26(28,29)30/h4-10,38H,3,11-14H2,1-2H3,(H,32,33,34,35).
What are the key properties of 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol?
2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 559.59 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]thieno[3,2-b]pyridin-7-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 164709892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).