6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C22H23F3N4O — CID 89134345

IUPAC6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)NCCN3CCCC3)[nH]c2N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N4O/c1-15-4-5-16-14-19(21(30)26-10-13-28-11-2-3-12-28)27-20(16)29(15)18-8-6-17(7-9-18)22(23,24)25/h4-9,14,27H,1-3,10-13H2,(H,26,30)
InChIKeyYZMKMJQNTWOVOY-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.54
Rot. Bonds5

About 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134345) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID89134345
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)NCCN3CCCC3)[nH]c2N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N4O/c1-15-4-5-16-14-19(21(30)26-10-13-28-11-2-3-12-28)27-20(16)29(15)18-8-6-17(7-9-18)22(23,24)25/h4-9,14,27H,1-3,10-13H2,(H,26,30)
InChIKeyYZMKMJQNTWOVOY-UHFFFAOYSA-N
XLogP4.54
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134345) is 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)NCCN3CCCC3)[nH]c2N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is YZMKMJQNTWOVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-15-4-5-16-14-19(21(30)26-10-13-28-11-2-3-12-28)27-20(16)29(15)18-8-6-17(7-9-18)22(23,24)25/h4-9,14,27H,1-3,10-13H2,(H,26,30).
What are the key properties of 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-(2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).