N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C16H22F2N6 — CID 56823393

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCN(CC(F)F)CC3)n2)n1
InChIInChI=1S/C16H22F2N6/c1-11-7-12(2)24(22-11)16-9-19-8-15(21-16)20-13-3-5-23(6-4-13)10-14(17)18/h7-9,13-14H,3-6,10H2,1-2H3,(H,20,21)
InChIKeyKYQDMUTVSSHQFQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 56823393) has the molecular formula C16H22F2N6 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID56823393
Molecular FormulaC16H22F2N6
Molecular Weight336.39 g/mol
Exact Mass336.19
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCN(CC(F)F)CC3)n2)n1
InChIInChI=1S/C16H22F2N6/c1-11-7-12(2)24(22-11)16-9-19-8-15(21-16)20-13-3-5-23(6-4-13)10-14(17)18/h7-9,13-14H,3-6,10H2,1-2H3,(H,20,21)
InChIKeyKYQDMUTVSSHQFQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
CID 133284396
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methylcyclohexyl)pyrazin-2-amine
CID 133273883
N-(2-cyclopentyloxycyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71907167
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 133446469
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 56823393) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NC3CCN(CC(F)F)CC3)n2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is KYQDMUTVSSHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6/c1-11-7-12(2)24(22-11)16-9-19-8-15(21-16)20-13-3-5-23(6-4-13)10-14(17)18/h7-9,13-14H,3-6,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 336.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 56823393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).