1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one

C26H32N4O2 — CID 58496565

IUPAC1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)CN(C)C)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C26H32N4O2/c1-5-7-19(22-8-6-11-27-15-22)12-23-16-28-17-25(29-23)20-9-10-21(26(14-20)32-4)13-24(31)18-30(2)3/h6,8-11,14-17,19H,5,7,12-13,18H2,1-4H3/t19-/m1/s1
InChIKeyWAXOKXVETHHTDG-LJQANCHMSA-N
MW432.57 g/mol
LogP4.35
Rot. Bonds11

About 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one

1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one (PubChem CID 58496565) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
PubChem CID58496565
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)CN(C)C)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C26H32N4O2/c1-5-7-19(22-8-6-11-27-15-22)12-23-16-28-17-25(29-23)20-9-10-21(26(14-20)32-4)13-24(31)18-30(2)3/h6,8-11,14-17,19H,5,7,12-13,18H2,1-4H3/t19-/m1/s1
InChIKeyWAXOKXVETHHTDG-LJQANCHMSA-N
XLogP4.35
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
CID 58496570
methane;1-[2-methoxy-4-[6-(4-methoxy-2-phenylbutyl)pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[6-[(2R)-3-methoxy-2-phenylpropyl]pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[5-methyl-6-(2-phenylpentyl)pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]phenyl]pentan-2-one;2-[2-methoxy-4-[6-[(2R)-2-pyridin-2-ylpentyl]pyrazin-2-yl]phenyl]-N-methylacetamide
CID 159286958
1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
CID 143056501
N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
CID 58496567
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 174608651
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
3-[(2-chloroacetyl)amino]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
CID 158405433
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1R)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CID 122172982

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one?
The IUPAC name of 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one (CID 58496565) is 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one is CCC[C@H](Cc1cncc(-c2ccc(CC(=O)CN(C)C)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one?
The InChIKey is WAXOKXVETHHTDG-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-7-19(22-8-6-11-27-15-22)12-23-16-28-17-25(29-23)20-9-10-21(26(14-20)32-4)13-24(31)18-30(2)3/h6,8-11,14-17,19H,5,7,12-13,18H2,1-4H3/t19-/m1/s1.
What are the key properties of 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one?
1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one has a molecular weight of 432.57 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one is sourced from PubChem (CID 58496565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).