2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine

C26H24N4O — CID 139494486

IUPAC2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESCC1=Nc2oc3c(N4c5ncccc5N(c5ccccc5)[C@@H]4C)c(C)ccc3c2CC1
InChIInChI=1S/C26H24N4O/c1-16-11-13-20-21-14-12-17(2)28-26(21)31-24(20)23(16)30-18(3)29(19-8-5-4-6-9-19)22-10-7-15-27-25(22)30/h4-11,13,15,18H,12,14H2,1-3H3/t18-/m0/s1
InChIKeyNQHXQVFLARDJOJ-SFHVURJKSA-N
MW408.51 g/mol
LogP6.81
Rot. Bonds2

About 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 139494486) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID139494486
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESCC1=Nc2oc3c(N4c5ncccc5N(c5ccccc5)[C@@H]4C)c(C)ccc3c2CC1
InChIInChI=1S/C26H24N4O/c1-16-11-13-20-21-14-12-17(2)28-26(21)31-24(20)23(16)30-18(3)29(19-8-5-4-6-9-19)22-10-7-15-27-25(22)30/h4-11,13,15,18H,12,14H2,1-3H3/t18-/m0/s1
InChIKeyNQHXQVFLARDJOJ-SFHVURJKSA-N
XLogP6.81
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine (CID 139494486) is 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine is CC1=Nc2oc3c(N4c5ncccc5N(c5ccccc5)[C@@H]4C)c(C)ccc3c2CC1.
What is the InChIKey of 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NQHXQVFLARDJOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-11-13-20-21-14-12-17(2)28-26(21)31-24(20)23(16)30-18(3)29(19-8-5-4-6-9-19)22-10-7-15-27-25(22)30/h4-11,13,15,18H,12,14H2,1-3H3/t18-/m0/s1.
What are the key properties of 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 408.51 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 139494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).