2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine

C22H25N5O — CID 134805098

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O/c1-14-11-18-20(27(14)10-9-26(4)5)12-19(21-15(2)25-28-16(21)3)24-22(18)17-7-6-8-23-13-17/h6-8,11-13H,9-10H2,1-5H3
InChIKeySQLYGDLABDMUOS-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.24
Rot. Bonds5

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 134805098) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID134805098
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O/c1-14-11-18-20(27(14)10-9-26(4)5)12-19(21-15(2)25-28-16(21)3)24-22(18)17-7-6-8-23-13-17/h6-8,11-13H,9-10H2,1-5H3
InChIKeySQLYGDLABDMUOS-UHFFFAOYSA-N
XLogP4.24
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (CID 134805098) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(-c2cccnc2)n1.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is SQLYGDLABDMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14-11-18-20(27(14)10-9-26(4)5)12-19(21-15(2)25-28-16(21)3)24-22(18)17-7-6-8-23-13-17/h6-8,11-13H,9-10H2,1-5H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 375.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134805098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).