1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one

C24H26N6O3 — CID 124967598

IUPAC1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)n1
InChIInChI=1S/C24H26N6O3/c1-16-10-17(18-12-25-27(2)13-18)11-19(26-16)22-14-29(8-9-33-22)23(31)15-30-21-7-5-4-6-20(21)28(3)24(30)32/h4-7,10-13,22H,8-9,14-15H2,1-3H3/t22-/m0/s1
InChIKeyIUFYSQLMQPZURG-QFIPXVFZSA-N
MW446.51 g/mol
LogP2.04
Rot. Bonds4

About 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one

1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 124967598) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID124967598
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)n1
InChIInChI=1S/C24H26N6O3/c1-16-10-17(18-12-25-27(2)13-18)11-19(26-16)22-14-29(8-9-33-22)23(31)15-30-21-7-5-4-6-20(21)28(3)24(30)32/h4-7,10-13,22H,8-9,14-15H2,1-3H3/t22-/m0/s1
InChIKeyIUFYSQLMQPZURG-QFIPXVFZSA-N
XLogP2.04
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124958096
1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
CID 125000862
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 51320756
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 125019995
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356
1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110023664
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 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) is 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one is Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)n1.
What is the InChIKey of 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is IUFYSQLMQPZURG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-10-17(18-12-25-27(2)13-18)11-19(26-16)22-14-29(8-9-33-22)23(31)15-30-21-7-5-4-6-20(21)28(3)24(30)32/h4-7,10-13,22H,8-9,14-15H2,1-3H3/t22-/m0/s1.
What are the key properties of 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one?
1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 446.51 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 124967598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).