4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C23H29F3N6S — CID 134353096

IUPAC4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCc1c([C@H](C(C)C)N2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cnn1C
InChIInChI=1S/C23H29F3N6S/c1-14(2)19(18-9-29-30(4)15(18)3)32-11-22(12-32)5-6-31(10-22)20-17-7-16(8-23(24,25)26)33-21(17)28-13-27-20/h7,9,13-14,19H,5-6,8,10-12H2,1-4H3/t19-/m0/s1
InChIKeyUUVZDPBHBUGTRO-IBGZPJMESA-N
MW478.59 g/mol
LogP4.75
Rot. Bonds5

About 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 134353096) has the molecular formula C23H29F3N6S and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID134353096
Molecular FormulaC23H29F3N6S
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCc1c([C@H](C(C)C)N2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cnn1C
InChIInChI=1S/C23H29F3N6S/c1-14(2)19(18-9-29-30(4)15(18)3)32-11-22(12-32)5-6-31(10-22)20-17-7-16(8-23(24,25)26)33-21(17)28-13-27-20/h7,9,13-14,19H,5-6,8,10-12H2,1-4H3/t19-/m0/s1
InChIKeyUUVZDPBHBUGTRO-IBGZPJMESA-N
XLogP4.75
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[2-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]propyl]phenol
CID 134353051
4-[2-(1-pyridin-3-ylethyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353358
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
N-(2-methylpropyl)-6-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-amine
CID 147886170
4-[8-(2-methylbutyl)-2,8-diazaspiro[4.5]decan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 165036736
4-[2-[1-(2-methoxyphenyl)propan-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134353283
tert-butyl 3-fluoro-3-[2-methyl-1-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]propyl]azetidine-1-carboxylate
CID 134353056
[4-[1-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethyl]phenyl]methanamine;hydrochloride
CID 134230012
4-[2-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286022
4-[(5R)-7-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139315065
4-(2,7-diazaspiro[3.5]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286109
4-[7-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 163809976

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 134353096) is 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is Cc1c([C@H](C(C)C)N2CC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cnn1C.
What is the InChIKey of 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is UUVZDPBHBUGTRO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29F3N6S/c1-14(2)19(18-9-29-30(4)15(18)3)32-11-22(12-32)5-6-31(10-22)20-17-7-16(8-23(24,25)26)33-21(17)28-13-27-20/h7,9,13-14,19H,5-6,8,10-12H2,1-4H3/t19-/m0/s1.
What are the key properties of 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 478.59 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-(1,5-dimethylpyrazol-4-yl)-2-methylpropyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 134353096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).