N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide

C17H23F2N5O — CID 175649058

IUPACN-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
SMILESCc1cc(N2CCC(CC(=O)NCC(F)F)CC2)n2nc(C)cc2n1
InChIInChI=1S/C17H23F2N5O/c1-11-8-17(24-15(21-11)7-12(2)22-24)23-5-3-13(4-6-23)9-16(25)20-10-14(18)19/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,25)
InChIKeyRTXICDCECNOTIG-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.33
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide (PubChem CID 175649058) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
PubChem CID175649058
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
SMILESCc1cc(N2CCC(CC(=O)NCC(F)F)CC2)n2nc(C)cc2n1
InChIInChI=1S/C17H23F2N5O/c1-11-8-17(24-15(21-11)7-12(2)22-24)23-5-3-13(4-6-23)9-16(25)20-10-14(18)19/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,25)
InChIKeyRTXICDCECNOTIG-UHFFFAOYSA-N
XLogP2.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994133
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899976
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431
N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 175648415
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172902959
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863098
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide (CID 175649058) is N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide is Cc1cc(N2CCC(CC(=O)NCC(F)F)CC2)n2nc(C)cc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide?
The InChIKey is RTXICDCECNOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-11-8-17(24-15(21-11)7-12(2)22-24)23-5-3-13(4-6-23)9-16(25)20-10-14(18)19/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,25).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175649058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).