2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol

C29H27N5O2 — CID 154658300

IUPAC2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CCOc2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C29H27N5O2/c1-29(2,35)24-12-6-11-22(32-24)15-17-36-28-27(30)33-25(19-8-4-3-5-9-19)26(34-28)21-13-14-23-20(18-21)10-7-16-31-23/h3-14,16,18,35H,15,17H2,1-2H3,(H2,30,33)
InChIKeyCMBXXXKFBLEVPN-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.18
Rot. Bonds7

About 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol

2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol (PubChem CID 154658300) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
PubChem CID154658300
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CCOc2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C29H27N5O2/c1-29(2,35)24-12-6-11-22(32-24)15-17-36-28-27(30)33-25(19-8-4-3-5-9-19)26(34-28)21-13-14-23-20(18-21)10-7-16-31-23/h3-14,16,18,35H,15,17H2,1-2H3,(H2,30,33)
InChIKeyCMBXXXKFBLEVPN-UHFFFAOYSA-N
XLogP5.18
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658067
6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
CID 154604405
3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604645
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
CID 154657915
2-[6-[[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]methyl]-1,3-oxazol-5-yl]methyl]-2-pyridinyl]propan-2-ol
CID 154658320
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-[6-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-3-pyridinyl]-2,2-dimethylpropanoic acid
CID 154657874
3-N-[2-[3-amino-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazin-2-yl]oxyethyl]-5-N-methylsulfanylpyridine-3,5-diamine
CID 154658290
6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine
CID 154658244
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol (CID 154658300) is 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(CCOc2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol?
The InChIKey is CMBXXXKFBLEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-29(2,35)24-12-6-11-22(32-24)15-17-36-28-27(30)33-25(19-8-4-3-5-9-19)26(34-28)21-13-14-23-20(18-21)10-7-16-31-23/h3-14,16,18,35H,15,17H2,1-2H3,(H2,30,33).
What are the key properties of 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol?
2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol has a molecular weight of 477.57 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 154658300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).