6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine

C28H28N8O — CID 118409975

IUPAC6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)oc1c(N3c4ncccc4N(C)[C@@H]3C)c(C)c(N3c4ncccc4N(C)[C@H]3C)cc12
InChIInChI=1S/C28H28N8O/c1-15-23(35-17(3)33(5)21-9-7-11-29-26(21)35)13-19-20-14-31-16(2)32-28(20)37-25(19)24(15)36-18(4)34(6)22-10-8-12-30-27(22)36/h7-14,17-18H,1-6H3/t17-,18+/m1/s1
InChIKeyYYNBMROKVUPMID-MSOLQXFVSA-N
MW492.59 g/mol
LogP5.65
Rot. Bonds2

About 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine

6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118409975) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118409975
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)oc1c(N3c4ncccc4N(C)[C@@H]3C)c(C)c(N3c4ncccc4N(C)[C@H]3C)cc12
InChIInChI=1S/C28H28N8O/c1-15-23(35-17(3)33(5)21-9-7-11-29-26(21)35)13-19-20-14-31-16(2)32-28(20)37-25(19)24(15)36-18(4)34(6)22-10-8-12-30-27(22)36/h7-14,17-18H,1-6H3/t17-,18+/m1/s1
InChIKeyYYNBMROKVUPMID-MSOLQXFVSA-N
XLogP5.65
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine (CID 118409975) is 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine is Cc1ncc2c(n1)oc1c(N3c4ncccc4N(C)[C@@H]3C)c(C)c(N3c4ncccc4N(C)[C@H]3C)cc12.
What is the InChIKey of 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is YYNBMROKVUPMID-MSOLQXFVSA-N. The full InChI is InChI=1S/C28H28N8O/c1-15-23(35-17(3)33(5)21-9-7-11-29-26(21)35)13-19-20-14-31-16(2)32-28(20)37-25(19)24(15)36-18(4)34(6)22-10-8-12-30-27(22)36/h7-14,17-18H,1-6H3/t17-,18+/m1/s1.
What are the key properties of 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine?
6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 492.59 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118409975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).