2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C17H18F3N3O3 — CID 25116886

IUPAC2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)c2c(n1-c1ccccc1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N3O.C2HF3O2/c1-10-14(15(16)19)12-9-17-8-7-13(12)18(10)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,17H,7-9H2,1H3,(H2,16,19);(H,6,7)
InChIKeyMSUZPOUJXZEEEA-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.16
Rot. Bonds2

About 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 25116886) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID25116886
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)c2c(n1-c1ccccc1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H17N3O.C2HF3O2/c1-10-14(15(16)19)12-9-17-8-7-13(12)18(10)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,17H,7-9H2,1H3,(H2,16,19);(H,6,7)
InChIKeyMSUZPOUJXZEEEA-UHFFFAOYSA-N
XLogP2.16
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 25116886) is 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1c(C(N)=O)c2c(n1-c1ccccc1)CCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MSUZPOUJXZEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.C2HF3O2/c1-10-14(15(16)19)12-9-17-8-7-13(12)18(10)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,17H,7-9H2,1H3,(H2,16,19);(H,6,7).
What are the key properties of 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 369.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25116886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).