2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol

C24H23N5O2 — CID 159490358

IUPAC2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(-c2cnc3c(n2)C(c2ccc4ncn(C(C)(C)CO)c4c2)=CC3)ccn1
InChIInChI=1S/C24H23N5O2/c1-24(2,13-30)29-14-27-18-6-4-15(10-21(18)29)17-5-7-19-23(17)28-20(12-26-19)16-8-9-25-22(11-16)31-3/h4-6,8-12,14,30H,7,13H2,1-3H3
InChIKeyLYCNXCPHSJHELD-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.61
Rot. Bonds5

About 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol

2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol (PubChem CID 159490358) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
PubChem CID159490358
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(-c2cnc3c(n2)C(c2ccc4ncn(C(C)(C)CO)c4c2)=CC3)ccn1
InChIInChI=1S/C24H23N5O2/c1-24(2,13-30)29-14-27-18-6-4-15(10-21(18)29)17-5-7-19-23(17)28-20(12-26-19)16-8-9-25-22(11-16)31-3/h4-6,8-12,14,30H,7,13H2,1-3H3
InChIKeyLYCNXCPHSJHELD-UHFFFAOYSA-N
XLogP3.61
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
CID 158947619
2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 157391502
7-(3-tert-butylbenzimidazol-5-yl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122670195
3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 145168511
7-(3-tert-butylbenzimidazol-5-yl)-2-[4-(4-ethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608698
ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988114
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]ethanol
CID 168928761
N-[3-[7-(3-tert-butylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-2-sulfonamide
CID 122608737
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol (CID 159490358) is 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol is COc1cc(-c2cnc3c(n2)C(c2ccc4ncn(C(C)(C)CO)c4c2)=CC3)ccn1.
What is the InChIKey of 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is LYCNXCPHSJHELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-24(2,13-30)29-14-27-18-6-4-15(10-21(18)29)17-5-7-19-23(17)28-20(12-26-19)16-8-9-25-22(11-16)31-3/h4-6,8-12,14,30H,7,13H2,1-3H3.
What are the key properties of 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol?
2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 413.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 159490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).