4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one

C24H33N5O2 — CID 125011261

IUPAC4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
SMILESCc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1
InChIInChI=1S/C24H33N5O2/c1-19-13-20(21-15-25-18-26-16-21)14-22(27-19)23-17-29(11-12-31-23)24(30)7-6-10-28-8-4-2-3-5-9-28/h13-16,18,23H,2-12,17H2,1H3/t23-/m0/s1
InChIKeyVOYZENUYENJXKW-QHCPKHFHSA-N
MW423.56 g/mol
LogP3.40
Rot. Bonds6

About 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one

4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one (PubChem CID 125011261) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
PubChem CID125011261
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
SMILESCc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1
InChIInChI=1S/C24H33N5O2/c1-19-13-20(21-15-25-18-26-16-21)14-22(27-19)23-17-29(11-12-31-23)24(30)7-6-10-28-8-4-2-3-5-9-28/h13-16,18,23H,2-12,17H2,1H3/t23-/m0/s1
InChIKeyVOYZENUYENJXKW-QHCPKHFHSA-N
XLogP3.40
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
CID 125000862
1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124958096
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
CID 127250547
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834644
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 127251454
1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
CID 124967598
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92617351
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one (CID 125011261) is 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one is Cc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1.
What is the InChIKey of 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one?
The InChIKey is VOYZENUYENJXKW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-19-13-20(21-15-25-18-26-16-21)14-22(27-19)23-17-29(11-12-31-23)24(30)7-6-10-28-8-4-2-3-5-9-28/h13-16,18,23H,2-12,17H2,1H3/t23-/m0/s1.
What are the key properties of 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one?
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one has a molecular weight of 423.56 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 125011261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).