4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H21N5S — CID 110100152

IUPAC4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc2nccc(C3(C)CCCN3Cc3scnc3C)n2n1
InChIInChI=1S/C17H21N5S/c1-12-9-16-18-7-5-15(22(16)20-12)17(3)6-4-8-21(17)10-14-13(2)19-11-23-14/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyKAJPVWRPSNXOPY-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.31
Rot. Bonds3

About 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110100152) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110100152
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc2nccc(C3(C)CCCN3Cc3scnc3C)n2n1
InChIInChI=1S/C17H21N5S/c1-12-9-16-18-7-5-15(22(16)20-12)17(3)6-4-8-21(17)10-14-13(2)19-11-23-14/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyKAJPVWRPSNXOPY-UHFFFAOYSA-N
XLogP3.31
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

5-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952795
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
5-(Piperidin-3-yl)-3-(thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53317703
2-[1-[(2-Methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 11416499
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257255
2-[(1S,2S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazole
CID 71548146
US11186582, Example 202
CID 118472381
US11186582, Example 201
CID 126615658
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
4-Methyl-2-phenyl-5-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
CID 46236835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110100152) is 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cc2nccc(C3(C)CCCN3Cc3scnc3C)n2n1.
What is the InChIKey of 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KAJPVWRPSNXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12-9-16-18-7-5-15(22(16)20-12)17(3)6-4-8-21(17)10-14-13(2)19-11-23-14/h5,7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 327.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110100152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).