1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one

C19H28N6O — CID 133305589

IUPAC1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cc(C)n(-c2cncc(NC3CCN(C(=O)CC(C)C)CC3)n2)n1
InChIInChI=1S/C19H28N6O/c1-13(2)9-19(26)24-7-5-16(6-8-24)21-17-11-20-12-18(22-17)25-15(4)10-14(3)23-25/h10-13,16H,5-9H2,1-4H3,(H,21,22)
InChIKeyMEMLISSXEKBYHQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one

1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 133305589) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID133305589
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cc(C)n(-c2cncc(NC3CCN(C(=O)CC(C)C)CC3)n2)n1
InChIInChI=1S/C19H28N6O/c1-13(2)9-19(26)24-7-5-16(6-8-24)21-17-11-20-12-18(22-17)25-15(4)10-14(3)23-25/h10-13,16H,5-9H2,1-4H3,(H,21,22)
InChIKeyMEMLISSXEKBYHQ-UHFFFAOYSA-N
XLogP2.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
CID 133284396
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methylcyclohexyl)pyrazin-2-amine
CID 133273883
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 133283460
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one (CID 133305589) is 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one is Cc1cc(C)n(-c2cncc(NC3CCN(C(=O)CC(C)C)CC3)n2)n1.
What is the InChIKey of 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is MEMLISSXEKBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13(2)9-19(26)24-7-5-16(6-8-24)21-17-11-20-12-18(22-17)25-15(4)10-14(3)23-25/h10-13,16H,5-9H2,1-4H3,(H,21,22).
What are the key properties of 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one?
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 133305589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).