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]propan-2-ol

C26H28FN7OS — CID 164709954

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]propan-2-ol
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(C)O)c5s4)n3)nc1)C2
InChIInChI=1S/C26H28FN7OS/c1-4-33-12-26(13-33)14-34(15-26)16-5-6-21(29-10-16)31-24-30-11-18(27)22(32-24)20-9-19-23(36-20)17(7-8-28-19)25(2,3)35/h5-11,35H,4,12-15H2,1-3H3,(H,29,30,31,32)
InChIKeyLELVCZPIWAXZKR-UHFFFAOYSA-N
MW505.62 g/mol
LogP4.40
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]propan-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]propan-2-ol (PubChem CID 164709954) has the molecular formula C26H28FN7OS and a molecular weight of 505.62 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]propan-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]propan-2-ol
PubChem CID164709954
Molecular FormulaC26H28FN7OS
Molecular Weight505.62 g/mol
Exact Mass505.21
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]propan-2-ol
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(C)O)c5s4)n3)nc1)C2
InChIInChI=1S/C26H28FN7OS/c1-4-33-12-26(13-33)14-34(15-26)16-5-6-21(29-10-16)31-24-30-11-18(27)22(32-24)20-9-19-23(36-20)17(7-8-28-19)25(2,3)35/h5-11,35H,4,12-15H2,1-3H3,(H,29,30,31,32)
InChIKeyLELVCZPIWAXZKR-UHFFFAOYSA-N
XLogP4.40
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.40
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]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

Related Compounds

Gne-493
CID 25242324
2-(2-(2-Amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol
CID 46180666
4-(5-Methylpyridin-2-yl)-1-(2-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 72841751
[3-[4-[[(2S)-2-amino-3-phenylpropyl]amino]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol
CID 89596645
[4-[4-[[(2S)-2-amino-3-phenylpropyl]amino]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanol
CID 89596657
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
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

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]propan-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]propan-2-ol (CID 164709954) 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]propan-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]propan-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]propan-2-ol is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)(C)O)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]propan-2-ol?
The InChIKey is LELVCZPIWAXZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7OS/c1-4-33-12-26(13-33)14-34(15-26)16-5-6-21(29-10-16)31-24-30-11-18(27)22(32-24)20-9-19-23(36-20)17(7-8-28-19)25(2,3)35/h5-11,35H,4,12-15H2,1-3H3,(H,29,30,31,32).
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]propan-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]propan-2-ol has a molecular weight of 505.62 g/mol, XLogP of 4.40, 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]propan-2-ol is sourced from PubChem (CID 164709954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).