1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine

C19H18FN3 — CID 67141427

IUPAC1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine
SMILESC=CCn1c(C)c(C)c2ccnc(/C=N/c3ccc(F)cc3)c21
InChIInChI=1S/C19H18FN3/c1-4-11-23-14(3)13(2)17-9-10-21-18(19(17)23)12-22-16-7-5-15(20)6-8-16/h4-10,12H,1,11H2,2-3H3/b22-12+
InChIKeyMRTBGWDREBDRMF-WSDLNYQXSA-N
MW307.37 g/mol
LogP4.73
Rot. Bonds4

About 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine

1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine (PubChem CID 67141427) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine
PubChem CID67141427
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine
SMILESC=CCn1c(C)c(C)c2ccnc(/C=N/c3ccc(F)cc3)c21
InChIInChI=1S/C19H18FN3/c1-4-11-23-14(3)13(2)17-9-10-21-18(19(17)23)12-22-16-7-5-15(20)6-8-16/h4-10,12H,1,11H2,2-3H3/b22-12+
InChIKeyMRTBGWDREBDRMF-WSDLNYQXSA-N
XLogP4.73
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine (CID 67141427) is 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine is C=CCn1c(C)c(C)c2ccnc(/C=N/c3ccc(F)cc3)c21.
What is the InChIKey of 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine?
The InChIKey is MRTBGWDREBDRMF-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H18FN3/c1-4-11-23-14(3)13(2)17-9-10-21-18(19(17)23)12-22-16-7-5-15(20)6-8-16/h4-10,12H,1,11H2,2-3H3/b22-12+.
What are the key properties of 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine?
1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine has a molecular weight of 307.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 67141427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).