2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one

C23H25F2N5O3 — CID 177311912

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one
SMILESCn1c(=O)ccc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc21
InChIInChI=1S/C23H25F2N5O3/c1-29-20(31)5-3-18-22(29)28-21(26-15-8-11-32-13-15)23(27-18)30-9-6-16(7-10-30)33-19-4-2-14(24)12-17(19)25/h2-5,12,15-16H,6-11,13H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyCQUAGMAGMFXUHL-OAHLLOKOSA-N
MW457.48 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one (PubChem CID 177311912) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one
PubChem CID177311912
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one
SMILESCn1c(=O)ccc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc21
InChIInChI=1S/C23H25F2N5O3/c1-29-20(31)5-3-18-22(29)28-21(26-15-8-11-32-13-15)23(27-18)30-9-6-16(7-10-30)33-19-4-2-14(24)12-17(19)25/h2-5,12,15-16H,6-11,13H2,1H3,(H,26,28)/t15-/m1/s1
InChIKeyCQUAGMAGMFXUHL-OAHLLOKOSA-N
XLogP2.86
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine
CID 177311994
6-benzyl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 177311998
2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide
CID 90038977
3-[(3,3-difluorocyclobutyl)amino]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methylspiro[5H-pyrido[3,4-b]pyrazine-8,1'-cyclopropane]-7-one
CID 177311975
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
1-[3-(cyclobutylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155530682
1-[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-2-(oxolan-3-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 177191026
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
CID 90038113
3-cyano-5-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(propan-2-ylamino)pyrazine-2-carboxylic acid
CID 118309503
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-N-propan-2-ylpyrazino[2,3-d]pyridazin-3-amine
CID 90037622
N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
CID 118159369
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 172680077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one (CID 177311912) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one is Cn1c(=O)ccc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc21.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is CQUAGMAGMFXUHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-29-20(31)5-3-18-22(29)28-21(26-15-8-11-32-13-15)23(27-18)30-9-6-16(7-10-30)33-19-4-2-14(24)12-17(19)25/h2-5,12,15-16H,6-11,13H2,1H3,(H,26,28)/t15-/m1/s1.
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 457.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 177311912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).