6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine

C22H22ClF2N5O2 — CID 177311994

IUPAC6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine
SMILESFc1ccc(OC2CCN(c3nc4nc(Cl)ccc4nc3N[C@@H]3CCOC3)CC2)c(F)c1
InChIInChI=1S/C22H22ClF2N5O2/c23-19-4-2-17-20(28-19)29-22(21(27-17)26-14-7-10-31-12-14)30-8-5-15(6-9-30)32-18-3-1-13(24)11-16(18)25/h1-4,11,14-15H,5-10,12H2,(H,26,27)/t14-/m1/s1
InChIKeyDDXNKXIRGKCTNM-CQSZACIVSA-N
MW461.90 g/mol
LogP4.20
Rot. Bonds5

About 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine

6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine (PubChem CID 177311994) has the molecular formula C22H22ClF2N5O2 and a molecular weight of 461.90 g/mol. Its IUPAC name is 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine
PubChem CID177311994
Molecular FormulaC22H22ClF2N5O2
Molecular Weight461.90 g/mol
Exact Mass461.14
IUPAC Name6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine
SMILESFc1ccc(OC2CCN(c3nc4nc(Cl)ccc4nc3N[C@@H]3CCOC3)CC2)c(F)c1
InChIInChI=1S/C22H22ClF2N5O2/c23-19-4-2-17-20(28-19)29-22(21(27-17)26-14-7-10-31-12-14)30-8-5-15(6-9-30)32-18-3-1-13(24)11-16(18)25/h1-4,11,14-15H,5-10,12H2,(H,26,27)/t14-/m1/s1
InChIKeyDDXNKXIRGKCTNM-CQSZACIVSA-N
XLogP4.20
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
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-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
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
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(3,3,3-trifluoropropylamino)quinoxaline-6-carbonitrile
CID 90038675
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
CID 90038113
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
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
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-N-propan-2-ylpyrazino[2,3-d]pyridazin-3-amine
CID 90037622
3-cyano-5-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(propan-2-ylamino)pyrazine-2-carboxylic acid
CID 118309503
N-cyclopropyl-3-[4-(3-fluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308645

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine?
The IUPAC name of 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine (CID 177311994) is 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine?
The canonical SMILES for 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine is Fc1ccc(OC2CCN(c3nc4nc(Cl)ccc4nc3N[C@@H]3CCOC3)CC2)c(F)c1.
What is the InChIKey of 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine?
The InChIKey is DDXNKXIRGKCTNM-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22ClF2N5O2/c23-19-4-2-17-20(28-19)29-22(21(27-17)26-14-7-10-31-12-14)30-8-5-15(6-9-30)32-18-3-1-13(24)11-16(18)25/h1-4,11,14-15H,5-10,12H2,(H,26,27)/t14-/m1/s1.
What are the key properties of 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine?
6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine has a molecular weight of 461.90 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[(3R)-oxolan-3-yl]pyrido[2,3-b]pyrazin-2-amine is sourced from PubChem (CID 177311994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).