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

C24H26N4O — CID 152967807

IUPAC2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C[C@H](C)N(C(C)C)c4cccnc43)c(C)ccc12
InChIInChI=1S/C24H26N4O/c1-14(2)28-17(5)13-27(23-20(28)7-6-12-25-23)21-15(3)8-10-18-19-11-9-16(4)26-24(19)29-22(18)21/h6-12,14,17H,13H2,1-5H3/t17-/m0/s1
InChIKeyURWGZYXNLWQMNH-KRWDZBQOSA-N
MW386.50 g/mol
LogP5.75
Rot. Bonds2

About 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

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 (PubChem CID 152967807) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID152967807
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C[C@H](C)N(C(C)C)c4cccnc43)c(C)ccc12
InChIInChI=1S/C24H26N4O/c1-14(2)28-17(5)13-27(23-20(28)7-6-12-25-23)21-15(3)8-10-18-19-11-9-16(4)26-24(19)29-22(18)21/h6-12,14,17H,13H2,1-5H3/t17-/m0/s1
InChIKeyURWGZYXNLWQMNH-KRWDZBQOSA-N
XLogP5.75
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
CID 140884132
CID 140884132
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
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
2,7-dimethyl-8-(11-methyl-1,10-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296382
CID 140884084
CID 140884084
2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 170184357
8-[(8S)-7-benzyl-8-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 163830996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(n1)oc1c(N3C[C@H](C)N(C(C)C)c4cccnc43)c(C)ccc12.
What is the InChIKey of 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?
The InChIKey is URWGZYXNLWQMNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O/c1-14(2)28-17(5)13-27(23-20(28)7-6-12-25-23)21-15(3)8-10-18-19-11-9-16(4)26-24(19)29-22(18)21/h6-12,14,17H,13H2,1-5H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 386.50 g/mol, XLogP of 5.75, 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-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 152967807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).