[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C26H27N5O4 — CID 73055956

IUPAC[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cncc(C(=O)N5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C26H27N5O4/c1-33-21-9-17(10-22(12-21)34-2)3-4-20-16-28-25-24(29-20)13-23(30-25)18-11-19(15-27-14-18)26(32)31-5-7-35-8-6-31/h9-16H,3-8H2,1-2H3,(H,28,30)
InChIKeySDJTVEATJURLIR-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.29
Rot. Bonds7

About [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 73055956) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID73055956
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cncc(C(=O)N5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C26H27N5O4/c1-33-21-9-17(10-22(12-21)34-2)3-4-20-16-28-25-24(29-20)13-23(30-25)18-11-19(15-27-14-18)26(32)31-5-7-35-8-6-31/h9-16H,3-8H2,1-2H3,(H,28,30)
InChIKeySDJTVEATJURLIR-UHFFFAOYSA-N
XLogP3.29
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 73055956) is [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone is COc1cc(CCc2cnc3[nH]c(-c4cncc(C(=O)N5CCOCC5)c4)cc3n2)cc(OC)c1.
What is the InChIKey of [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is SDJTVEATJURLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-33-21-9-17(10-22(12-21)34-2)3-4-20-16-28-25-24(29-20)13-23(30-25)18-11-19(15-27-14-18)26(32)31-5-7-35-8-6-31/h9-16H,3-8H2,1-2H3,(H,28,30).
What are the key properties of [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 473.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 73055956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).