[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone

C26H27N3O2 — CID 66764751

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ncccc23)c2ccccc12
InChIInChI=1S/C26H27N3O2/c1-18-9-10-22(21-7-4-3-6-20(18)21)25(30)24-19(2)29(26-23(24)8-5-11-27-26)13-12-28-14-16-31-17-15-28/h3-11H,12-17H2,1-2H3
InChIKeyHFSHWEYYKYUQQE-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.37
Rot. Bonds5

About [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone

[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone (PubChem CID 66764751) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone
PubChem CID66764751
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ncccc23)c2ccccc12
InChIInChI=1S/C26H27N3O2/c1-18-9-10-22(21-7-4-3-6-20(18)21)25(30)24-19(2)29(26-23(24)8-5-11-27-26)13-12-28-14-16-31-17-15-28/h3-11H,12-17H2,1-2H3
InChIKeyHFSHWEYYKYUQQE-UHFFFAOYSA-N
XLogP4.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone (CID 66764751) is [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ncccc23)c2ccccc12.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is HFSHWEYYKYUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-9-10-22(21-7-4-3-6-20(18)21)25(30)24-19(2)29(26-23(24)8-5-11-27-26)13-12-28-14-16-31-17-15-28/h3-11H,12-17H2,1-2H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone?
[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 413.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 66764751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).