N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N6OS — CID 124939569

IUPACN,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3cncs3)ccnc12
InChIInChI=1S/C18H22N6OS/c1-22(2)18(25)14-10-21-24-16(6-7-20-17(14)24)15-5-3-4-8-23(15)11-13-9-19-12-26-13/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t15-/m1/s1
InChIKeyAANBSLVCYMYRHI-OAHLLOKOSA-N
MW370.48 g/mol
LogP2.61
Rot. Bonds4

About N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124939569) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124939569
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3cncs3)ccnc12
InChIInChI=1S/C18H22N6OS/c1-22(2)18(25)14-10-21-24-16(6-7-20-17(14)24)15-5-3-4-8-23(15)11-13-9-19-12-26-13/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t15-/m1/s1
InChIKeyAANBSLVCYMYRHI-OAHLLOKOSA-N
XLogP2.61
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124939569) is N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3cncs3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AANBSLVCYMYRHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-22(2)18(25)14-10-21-24-16(6-7-20-17(14)24)15-5-3-4-8-23(15)11-13-9-19-12-26-13/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124939569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).