CID 140884132

C23H22N4O — CID 140884132

IUPAC—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)c2cccnc2N1C(C)C
InChIInChI=1S/C23H22N4O/c1-13(2)26-16(5)27(19-7-6-12-24-22(19)26)20-14(3)8-10-17-18-11-9-15(4)25-23(18)28-21(17)20/h6-13H,5H2,1-4H3
InChIKeyVANKSXFGRLURFR-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.68
Rot. Bonds2

About CID 140884132

CID 140884132 (PubChem CID 140884132) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol.

Molecular Properties

Compound NameCID 140884132
PubChem CID140884132
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)c2cccnc2N1C(C)C
InChIInChI=1S/C23H22N4O/c1-13(2)26-16(5)27(19-7-6-12-24-22(19)26)20-14(3)8-10-17-18-11-9-15(4)25-23(18)28-21(17)20/h6-13H,5H2,1-4H3
InChIKeyVANKSXFGRLURFR-UHFFFAOYSA-N
XLogP5.68
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 140884046
CID 140884046
CID 140884123
CID 140884123
CID 140884084
CID 140884084
2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 158578666
CID 140884093
CID 140884093
2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 148769561
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
8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 158567195
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301832
8-(2-ethyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137448454
8-(1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296553

Frequently Asked Questions

What is the IUPAC name of CID 140884132?
The IUPAC name of CID 140884132 (CID 140884132) is not available.
What is the SMILES notation for CID 140884132?
The canonical SMILES for CID 140884132 is [CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)c2cccnc2N1C(C)C.
What is the InChIKey of CID 140884132?
The InChIKey is VANKSXFGRLURFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-13(2)26-16(5)27(19-7-6-12-24-22(19)26)20-14(3)8-10-17-18-11-9-15(4)25-23(18)28-21(17)20/h6-13H,5H2,1-4H3.
What are the key properties of CID 140884132?
CID 140884132 has a molecular weight of 370.46 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884132 is sourced from PubChem (CID 140884132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).