6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine

C24H33N7S — CID 158450814

IUPAC6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(C3)CN([C@H](c3cnn(C)c3)C3CCNCC3)C4)ncnc2s1
InChIInChI=1S/C24H33N7S/c1-3-19-10-20-22(26-16-27-23(20)32-19)30-9-6-24(13-30)14-31(15-24)21(17-4-7-25-8-5-17)18-11-28-29(2)12-18/h10-12,16-17,21,25H,3-9,13-15H2,1-2H3/t21-/m0/s1
InChIKeyHDYNHCWXXSLHFO-NRFANRHFSA-N
MW451.64 g/mol
LogP3.24
Rot. Bonds5

About 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 158450814) has the molecular formula C24H33N7S and a molecular weight of 451.64 g/mol. Its IUPAC name is 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
PubChem CID158450814
Molecular FormulaC24H33N7S
Molecular Weight451.64 g/mol
Exact Mass451.25
IUPAC Name6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC4(C3)CN([C@H](c3cnn(C)c3)C3CCNCC3)C4)ncnc2s1
InChIInChI=1S/C24H33N7S/c1-3-19-10-20-22(26-16-27-23(20)32-19)30-9-6-24(13-30)14-31(15-24)21(17-4-7-25-8-5-17)18-11-28-29(2)12-18/h10-12,16-17,21,25H,3-9,13-15H2,1-2H3/t21-/m0/s1
InChIKeyHDYNHCWXXSLHFO-NRFANRHFSA-N
XLogP3.24
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[2-[(1R)-1-(azetidin-3-yl)ethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 165066523
6-ethyl-4-[2-[1-(oxan-4-yl)butyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 161136319
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
[3-[(1S)-1-[7-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropyl]-3-fluoroazetidin-1-yl]-methylborinic acid
CID 148914591
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470253
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
4-(6-azaspiro[3.4]octan-2-ylmethyl)benzoic acid;4-chloro-6-ethylthieno[2,3-d]pyrimidine;4-[[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]methyl]benzoic acid;methane
CID 165074511
6-ethyl-4-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine
CID 160653277
4-[(1S)-1-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]ethyl]thiane 1,1-dioxide
CID 134352907
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]benzenesulfonamide
CID 164965241
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine (CID 158450814) is 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC4(C3)CN([C@H](c3cnn(C)c3)C3CCNCC3)C4)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is HDYNHCWXXSLHFO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N7S/c1-3-19-10-20-22(26-16-27-23(20)32-19)30-9-6-24(13-30)14-31(15-24)21(17-4-7-25-8-5-17)18-11-28-29(2)12-18/h10-12,16-17,21,25H,3-9,13-15H2,1-2H3/t21-/m0/s1.
What are the key properties of 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 451.64 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[2-[(S)-(1-methylpyrazol-4-yl)-piperidin-4-ylmethyl]-2,7-diazaspiro[3.4]octan-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).