7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C21H20FN5O2S — CID 135389992

IUPAC7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC4(CC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C21H20FN5O2S/c22-12-1-2-15-14(9-12)21(5-6-21)10-27(15)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-3-7-29-8-4-13/h1-2,9,11,13H,3-8,10H2,(H,25,28)
InChIKeyBDWHTKULAMGVPA-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.32
Rot. Bonds3

About 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135389992) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135389992
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC4(CC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C21H20FN5O2S/c22-12-1-2-15-14(9-12)21(5-6-21)10-27(15)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-3-7-29-8-4-13/h1-2,9,11,13H,3-8,10H2,(H,25,28)
InChIKeyBDWHTKULAMGVPA-UHFFFAOYSA-N
XLogP3.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide 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 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135389992) is 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCOCC1)c1nc2c(N3CC4(CC4)c4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is BDWHTKULAMGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c22-12-1-2-15-14(9-12)21(5-6-21)10-27(15)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-3-7-29-8-4-13/h1-2,9,11,13H,3-8,10H2,(H,25,28).
What are the key properties of 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135389992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).