CID 140884046

C23H21N3O — CID 140884046

IUPAC—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2ccccc23)c2cccnc2N1C(C)C
InChIInChI=1S/C23H21N3O/c1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21/h5-14H,4H2,1-3H3
InChIKeyXOQQVOIUCZPLGY-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.98
Rot. Bonds2

About CID 140884046

CID 140884046 (PubChem CID 140884046) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol.

Molecular Properties

Compound NameCID 140884046
PubChem CID140884046
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2ccccc23)c2cccnc2N1C(C)C
InChIInChI=1S/C23H21N3O/c1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21/h5-14H,4H2,1-3H3
InChIKeyXOQQVOIUCZPLGY-UHFFFAOYSA-N
XLogP5.98
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 140884132
CID 140884132
CID 140884123
CID 140884123
CID 140884078
CID 140884078
CID 140884093
CID 140884093
bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296577
methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;bis(2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine);2-methyl-3-(3-methyldibenzofuran-4-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 162269247
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296576
CID 167400605
CID 167400605
(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine
CID 134371464
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine
CID 162301887
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735

Frequently Asked Questions

What is the IUPAC name of CID 140884046?
The IUPAC name of CID 140884046 (CID 140884046) is not available.
What is the SMILES notation for CID 140884046?
The canonical SMILES for CID 140884046 is [CH2][C]1N(c2c(C)ccc3c2oc2ccccc23)c2cccnc2N1C(C)C.
What is the InChIKey of CID 140884046?
The InChIKey is XOQQVOIUCZPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21/h5-14H,4H2,1-3H3.
What are the key properties of CID 140884046?
CID 140884046 has a molecular weight of 355.44 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884046 is sourced from PubChem (CID 140884046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).