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

C26H28FN7S — CID 164709853

IUPACN-[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
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)C)c5s4)n3)nc1)C2
InChIInChI=1S/C26H28FN7S/c1-4-33-12-26(13-33)14-34(15-26)17-5-6-22(29-10-17)31-25-30-11-19(27)23(32-25)21-9-20-24(35-21)18(16(2)3)7-8-28-20/h5-11,16H,4,12-15H2,1-3H3,(H,29,30,31,32)
InChIKeyLJGDIIUPZAUEAC-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.30
Rot. Bonds6

About 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

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 (PubChem CID 164709853) has the molecular formula C26H28FN7S and a molecular weight of 489.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID164709853
Molecular FormulaC26H28FN7S
Molecular Weight489.62 g/mol
Exact Mass489.21
IUPAC NameN-[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
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)C)c5s4)n3)nc1)C2
InChIInChI=1S/C26H28FN7S/c1-4-33-12-26(13-33)14-34(15-26)17-5-6-22(29-10-17)31-25-30-11-19(27)23(32-25)21-9-20-24(35-21)18(16(2)3)7-8-28-20/h5-11,16H,4,12-15H2,1-3H3,(H,29,30,31,32)
InChIKeyLJGDIIUPZAUEAC-UHFFFAOYSA-N
XLogP5.30
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 164709716
2-[2-[[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
CID 164709924
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
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
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
N-[5-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118859766
N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine
CID 171056989
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
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
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
CID 155281910

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C(C)C)c5s4)n3)nc1)C2.
What is the InChIKey of 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?
The InChIKey is LJGDIIUPZAUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7S/c1-4-33-12-26(13-33)14-34(15-26)17-5-6-22(29-10-17)31-25-30-11-19(27)23(32-25)21-9-20-24(35-21)18(16(2)3)7-8-28-20/h5-11,16H,4,12-15H2,1-3H3,(H,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 489.62 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164709853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).