CID 140884093

C25H18N4O — CID 140884093

IUPAC—
SMILES[CH2][C]1N(c2ccccc2)c2cccnc2N1c1c(C)ccc2c1oc1ncccc12
InChIInChI=1S/C25H18N4O/c1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)21-11-7-14-26-24(21)29/h3-15H,2H2,1H3
InChIKeyASEWYXYNEGDSIG-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.30
Rot. Bonds2

About CID 140884093

CID 140884093 (PubChem CID 140884093) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol.

Molecular Properties

Compound NameCID 140884093
PubChem CID140884093
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name—
SMILES[CH2][C]1N(c2ccccc2)c2cccnc2N1c1c(C)ccc2c1oc1ncccc12
InChIInChI=1S/C25H18N4O/c1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)21-11-7-14-26-24(21)29/h3-15H,2H2,1H3
InChIKeyASEWYXYNEGDSIG-UHFFFAOYSA-N
XLogP6.30
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 140884123
CID 140884123
CID 140884132
CID 140884132
CID 140884046
CID 140884046
CID 140884084
CID 140884084
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 140884140
7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 122492430
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
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
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296359
ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 158722082
7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162269283

Frequently Asked Questions

What is the IUPAC name of CID 140884093?
The IUPAC name of CID 140884093 (CID 140884093) is not available.
What is the SMILES notation for CID 140884093?
The canonical SMILES for CID 140884093 is [CH2][C]1N(c2ccccc2)c2cccnc2N1c1c(C)ccc2c1oc1ncccc12.
What is the InChIKey of CID 140884093?
The InChIKey is ASEWYXYNEGDSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)21-11-7-14-26-24(21)29/h3-15H,2H2,1H3.
What are the key properties of CID 140884093?
CID 140884093 has a molecular weight of 390.45 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884093 is sourced from PubChem (CID 140884093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).