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

C23H27N5O — CID 134808543

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)ccn1
InChIInChI=1S/C23H27N5O/c1-14-11-18(7-8-24-14)23-19-12-15(2)28(10-9-27(5)6)21(19)13-20(25-23)22-16(3)26-29-17(22)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyAPLIEKMYNCVIOV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.55
Rot. Bonds5

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

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 134808543) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[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-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID134808543
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)ccn1
InChIInChI=1S/C23H27N5O/c1-14-11-18(7-8-24-14)23-19-12-15(2)28(10-9-27(5)6)21(19)13-20(25-23)22-16(3)26-29-17(22)4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyAPLIEKMYNCVIOV-UHFFFAOYSA-N
XLogP4.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.55
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-(2-methyl-4-pyridinyl)pyrrolo[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-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (CID 134808543) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[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-(2-methyl-4-pyridinyl)pyrrolo[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-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is Cc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)ccn1.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is APLIEKMYNCVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14-11-18(7-8-24-14)23-19-12-15(2)28(10-9-27(5)6)21(19)13-20(25-23)22-16(3)26-29-17(22)4/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-4-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 389.50 g/mol, XLogP of 4.55, 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-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134808543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).