1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide

C17H17ClFN3O — CID 170606516

IUPAC1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C17H17ClFN3O/c1-3-17(2)9-22(10-4-5-11(18)12(19)8-10)14-7-6-13(16(20)23)21-15(14)17/h4-8H,3,9H2,1-2H3,(H2,20,23)
InChIKeySIDZTUYNUQFYFX-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide

1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 170606516) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID170606516
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C17H17ClFN3O/c1-3-17(2)9-22(10-4-5-11(18)12(19)8-10)14-7-6-13(16(20)23)21-15(14)17/h4-8H,3,9H2,1-2H3,(H2,20,23)
InChIKeySIDZTUYNUQFYFX-UHFFFAOYSA-N
XLogP3.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 170606516) is 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide is CCC1(C)CN(c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is SIDZTUYNUQFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c1-3-17(2)9-22(10-4-5-11(18)12(19)8-10)14-7-6-13(16(20)23)21-15(14)17/h4-8H,3,9H2,1-2H3,(H2,20,23).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide?
1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 170606516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).