1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine

C17H18N2 — CID 67142264

IUPAC1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2ccnc(-c3ccccc3)c21
InChIInChI=1S/C17H18N2/c1-4-19-13(3)12(2)15-10-11-18-16(17(15)19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeyYQQCSSIBPNIXDV-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.34
Rot. Bonds2

About 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine

1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine (PubChem CID 67142264) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine
PubChem CID67142264
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2ccnc(-c3ccccc3)c21
InChIInChI=1S/C17H18N2/c1-4-19-13(3)12(2)15-10-11-18-16(17(15)19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeyYQQCSSIBPNIXDV-UHFFFAOYSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine (CID 67142264) is 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine is CCn1c(C)c(C)c2ccnc(-c3ccccc3)c21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine?
The InChIKey is YQQCSSIBPNIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-4-19-13(3)12(2)15-10-11-18-16(17(15)19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine?
1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine has a molecular weight of 250.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67142264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).