N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17F3N6OS — CID 71525333

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3ccc(N4CCC[C@H]4C(F)(F)F)nc23)sc1C
InChIInChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)24-15(27)11-8-21-26-7-5-13(23-14(11)26)25-6-3-4-12(25)17(18,19)20/h5,7-8,12H,3-4,6H2,1-2H3,(H,22,24,27)/t12-/m0/s1
InChIKeySRYRPGABQCFBKR-LBPRGKRZSA-N
MW410.43 g/mol
LogP3.59
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71525333) has the molecular formula C17H17F3N6OS and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71525333
Molecular FormulaC17H17F3N6OS
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3ccc(N4CCC[C@H]4C(F)(F)F)nc23)sc1C
InChIInChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)24-15(27)11-8-21-26-7-5-13(23-14(11)26)25-6-3-4-12(25)17(18,19)20/h5,7-8,12H,3-4,6H2,1-2H3,(H,22,24,27)/t12-/m0/s1
InChIKeySRYRPGABQCFBKR-LBPRGKRZSA-N
XLogP3.59
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71525333) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(NC(=O)c2cnn3ccc(N4CCC[C@H]4C(F)(F)F)nc23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SRYRPGABQCFBKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F3N6OS/c1-9-10(2)28-16(22-9)24-15(27)11-8-21-26-7-5-13(23-14(11)26)25-6-3-4-12(25)17(18,19)20/h5,7-8,12H,3-4,6H2,1-2H3,(H,22,24,27)/t12-/m0/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71525333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).