7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H20N6OS — CID 110100955

IUPAC7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncsc1CN1CCCCC1c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C17H20N6OS/c1-11-15(25-10-20-11)9-22-7-3-2-4-13(22)14-5-6-19-17-12(16(18)24)8-21-23(14)17/h5-6,8,10,13H,2-4,7,9H2,1H3,(H2,18,24)
InChIKeyJPWFQABUPQLIBD-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.32
Rot. Bonds4

About 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110100955) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110100955
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncsc1CN1CCCCC1c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C17H20N6OS/c1-11-15(25-10-20-11)9-22-7-3-2-4-13(22)14-5-6-19-17-12(16(18)24)8-21-23(14)17/h5-6,8,10,13H,2-4,7,9H2,1H3,(H2,18,24)
InChIKeyJPWFQABUPQLIBD-UHFFFAOYSA-N
XLogP2.32
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110100955) is 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncsc1CN1CCCCC1c1ccnc2c(C(N)=O)cnn12.
What is the InChIKey of 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JPWFQABUPQLIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-15(25-10-20-11)9-22-7-3-2-4-13(22)14-5-6-19-17-12(16(18)24)8-21-23(14)17/h5-6,8,10,13H,2-4,7,9H2,1H3,(H2,18,24).
What are the key properties of 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110100955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).