3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

C18H18F2N6O — CID 129331540

IUPAC3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](Nc3ncnc4cc(F)c(F)cc34)C2)c1=O
InChIInChI=1S/C18H18F2N6O/c1-25-6-4-21-17(18(25)27)26-5-2-3-11(9-26)24-16-12-7-13(19)14(20)8-15(12)22-10-23-16/h4,6-8,10-11H,2-3,5,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyJODYVUISRIEHGY-LLVKDONJSA-N
MW372.38 g/mol
LogP2.08
Rot. Bonds3

About 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129331540) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129331540
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](Nc3ncnc4cc(F)c(F)cc34)C2)c1=O
InChIInChI=1S/C18H18F2N6O/c1-25-6-4-21-17(18(25)27)26-5-2-3-11(9-26)24-16-12-7-13(19)14(20)8-15(12)22-10-23-16/h4,6-8,10-11H,2-3,5,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyJODYVUISRIEHGY-LLVKDONJSA-N
XLogP2.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
CID 71996426
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154737044
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 129331540) is 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC[C@@H](Nc3ncnc4cc(F)c(F)cc34)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is JODYVUISRIEHGY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18F2N6O/c1-25-6-4-21-17(18(25)27)26-5-2-3-11(9-26)24-16-12-7-13(19)14(20)8-15(12)22-10-23-16/h4,6-8,10-11H,2-3,5,9H2,1H3,(H,22,23,24)/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 372.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129331540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).