2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione

C27H27FN6O2S — CID 164540362

IUPAC2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione
SMILESCCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5sc6c(c5C)C(=O)N(C)C65CC5=O)n4)nc3)C2)C1
InChIInChI=1S/C27H27FN6O2S/c1-4-34-12-26(13-34)7-16(8-26)15-5-6-19(29-10-15)31-25-30-11-17(28)21(32-25)22-14(2)20-23(37-22)27(9-18(27)35)33(3)24(20)36/h5-6,10-11,16H,4,7-9,12-13H2,1-3H3,(H,29,30,31,32)
InChIKeyJFTSNNLRAYAAOF-UHFFFAOYSA-N
MW518.62 g/mol
LogP4.24
Rot. Bonds5

About 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione

2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione (PubChem CID 164540362) has the molecular formula C27H27FN6O2S and a molecular weight of 518.62 g/mol. Its IUPAC name is 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione.

Molecular Properties

Compound Name2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione
PubChem CID164540362
Molecular FormulaC27H27FN6O2S
Molecular Weight518.62 g/mol
Exact Mass518.19
IUPAC Name2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione
SMILESCCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5sc6c(c5C)C(=O)N(C)C65CC5=O)n4)nc3)C2)C1
InChIInChI=1S/C27H27FN6O2S/c1-4-34-12-26(13-34)7-16(8-26)15-5-6-19(29-10-15)31-25-30-11-17(28)21(32-25)22-14(2)20-23(37-22)27(9-18(27)35)33(3)24(20)36/h5-6,10-11,16H,4,7-9,12-13H2,1-3H3,(H,29,30,31,32)
InChIKeyJFTSNNLRAYAAOF-UHFFFAOYSA-N
XLogP4.24
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione 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

2'-[2-[[5-[1-[(E)-but-2-enyl]pyrrolidin-3-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 164928342
2-[5-fluoro-2-[[5-(1-methylpiperidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 170551131
3'-chloro-2'-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5'-methylspiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 164928398
2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclobutane]-4-one
CID 164928347
2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 164928380
2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-methylspiro[6H-thieno[3,2-c]pyridine-7,3'-cyclohexane]-1',4-dione
CID 172683734
5-ethyl-2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]spiro[6H-thieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 164540311
2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
CID 164709938
N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-4-(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)pyrimidin-2-amine
CID 164709853
5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 164540343
2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
CID 164709802
2'-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3'-methyl-5'-(trideuteriomethyl)spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 169025886

Frequently Asked Questions

What is the IUPAC name of 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione?
The IUPAC name of 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione (CID 164540362) is 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione.
What is the SMILES notation for 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione?
The canonical SMILES for 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione is CCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5sc6c(c5C)C(=O)N(C)C65CC5=O)n4)nc3)C2)C1.
What is the InChIKey of 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione?
The InChIKey is JFTSNNLRAYAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2S/c1-4-34-12-26(13-34)7-16(8-26)15-5-6-19(29-10-15)31-25-30-11-17(28)21(32-25)22-14(2)20-23(37-22)27(9-18(27)35)33(3)24(20)36/h5-6,10-11,16H,4,7-9,12-13H2,1-3H3,(H,29,30,31,32).
What are the key properties of 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione?
2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione has a molecular weight of 518.62 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione is sourced from PubChem (CID 164540362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).