3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one

C24H26F2N4O — CID 129130572

IUPAC3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-c2c(-c3ccc(C(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H26F2N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(25)26)28-23(24(31)29(21)2)30-13-11-19(27)12-14-30/h3-10,19,22H,11-14,27H2,1-2H3
InChIKeyUQSYMLKBULSPSZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.29
Rot. Bonds4

About 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one

3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one (PubChem CID 129130572) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one
PubChem CID129130572
Molecular FormulaC24H26F2N4O
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one
SMILESCc1ccc(-c2c(-c3ccc(C(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H26F2N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(25)26)28-23(24(31)29(21)2)30-13-11-19(27)12-14-30/h3-10,19,22H,11-14,27H2,1-2H3
InChIKeyUQSYMLKBULSPSZ-UHFFFAOYSA-N
XLogP4.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{3-[(4-aminobutyl)amino]-5-chloro-2-oxo-6-phenyl-1,2-dihydropyrazin-1-yl}-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 11049137
2-{3-[(3-aminopropyl)amino]-5-chloro-2-oxo-6-phenyl-1,2-dihydropyrazin-1-yl}-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 11081135
US11028066, Example 47
CID 118610149
N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-methyl-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 10917410
N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-ethyl-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 10972679
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(pentan-2-ylamino)-6-phenyl-1,2-dihydropyrazin-1-yl]acetamide
CID 10983680
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-en-1-ylamino)-1,2-dihydropyrazin-1-yl]acetamide
CID 11037740
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)-1,2-dihydropyrazin-1-yl]acetamide
CID 11037772
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenyl-1,2-dihydropyrazin-1-yl]acetamide
CID 11081543
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(propan-2-ylamino)-1,2-dihydropyrazin-1-yl]acetamide
CID 11123270
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(pentan-3-ylamino)-6-phenyl-1,2-dihydropyrazin-1-yl]acetamide
CID 11123677
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(methylamino)-2-oxo-6-phenyl-1,2-dihydropyrazin-1-yl]acetamide
CID 11729577

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one (CID 129130572) is 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one is Cc1ccc(-c2c(-c3ccc(C(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one?
The InChIKey is UQSYMLKBULSPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)22(25)26)28-23(24(31)29(21)2)30-13-11-19(27)12-14-30/h3-10,19,22H,11-14,27H2,1-2H3.
What are the key properties of 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one?
3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one has a molecular weight of 424.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-5-[4-(difluoromethyl)phenyl]-1-methyl-6-(4-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 129130572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).