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

C28H32FN7OS — CID 164928347

IUPAC2-[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
SMILESCc1c(-c2nc(Nc3ccc(N4CC5(CCN(C)C5)C4)cn3)ncc2F)sc2c1C(=O)N(C)CC21CCC1
InChIInChI=1S/C28H32FN7OS/c1-17-21-24(28(7-4-8-28)16-35(3)25(21)37)38-23(17)22-19(29)12-31-26(33-22)32-20-6-5-18(11-30-20)36-14-27(15-36)9-10-34(2)13-27/h5-6,11-12H,4,7-10,13-16H2,1-3H3,(H,30,31,32,33)
InChIKeyOYPAQOOEHUCOPO-UHFFFAOYSA-N
MW533.68 g/mol
LogP4.44
Rot. Bonds4

About 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

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 (PubChem CID 164928347) has the molecular formula C28H32FN7OS and a molecular weight of 533.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164928347
Molecular FormulaC28H32FN7OS
Molecular Weight533.68 g/mol
Exact Mass533.24
IUPAC Name2-[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
SMILESCc1c(-c2nc(Nc3ccc(N4CC5(CCN(C)C5)C4)cn3)ncc2F)sc2c1C(=O)N(C)CC21CCC1
InChIInChI=1S/C28H32FN7OS/c1-17-21-24(28(7-4-8-28)16-35(3)25(21)37)38-23(17)22-19(29)12-31-26(33-22)32-20-6-5-18(11-30-20)36-14-27(15-36)9-10-34(2)13-27/h5-6,11-12H,4,7-10,13-16H2,1-3H3,(H,30,31,32,33)
InChIKeyOYPAQOOEHUCOPO-UHFFFAOYSA-N
XLogP4.44
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 170551131
2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
CID 164709751
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'-[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
4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 164709719
2-[2-[[5-[(3aS,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
CID 164709896
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
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-(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-methyl-2-[2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]spiro[6H-thieno[3,2-c]pyridine-7,1'-cyclobutane]-4-one
CID 176734209
4-(3-cyclobutyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 164709759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2nc(Nc3ccc(N4CC5(CCN(C)C5)C4)cn3)ncc2F)sc2c1C(=O)N(C)CC21CCC1.
What is the InChIKey of 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?
The InChIKey is OYPAQOOEHUCOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7OS/c1-17-21-24(28(7-4-8-28)16-35(3)25(21)37)38-23(17)22-19(29)12-31-26(33-22)32-20-6-5-18(11-30-20)36-14-27(15-36)9-10-34(2)13-27/h5-6,11-12H,4,7-10,13-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 533.68 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164928347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).