2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C17H22N6O — CID 95822153

IUPAC2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C17H22N6O/c1-12(2)17(24)23-9-3-13(4-10-23)15-16(21-8-7-20-15)22-14-11-18-5-6-19-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21,22)
InChIKeyHUTFCBSHRBADSF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95822153) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95822153
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C17H22N6O/c1-12(2)17(24)23-9-3-13(4-10-23)15-16(21-8-7-20-15)22-14-11-18-5-6-19-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21,22)
InChIKeyHUTFCBSHRBADSF-UHFFFAOYSA-N
XLogP2.37
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-pyrazin-2-yl-3-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazin-2-amine
CID 127244984
2-methyl-1-[(3S)-3-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propan-1-one
CID 95823746
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
[3-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110096053
1-[4-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821987
3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822617
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744
2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 102612429
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
2-(3-methoxyphenoxy)-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 110093928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95822153) is 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2nccnc2Nc2cnccn2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HUTFCBSHRBADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12(2)17(24)23-9-3-13(4-10-23)15-16(21-8-7-20-15)22-14-11-18-5-6-19-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21,22).
What are the key properties of 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95822153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).