3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C21H16ClFN4O2 — CID 170938100

IUPAC3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCOc1cccc(Cn2cc(-c3ccc(Cl)c(F)c3)c3ccc(C(N)=O)nc32)n1
InChIInChI=1S/C21H16ClFN4O2/c1-29-19-4-2-3-13(25-19)10-27-11-15(12-5-7-16(22)17(23)9-12)14-6-8-18(20(24)28)26-21(14)27/h2-9,11H,10H2,1H3,(H2,24,28)
InChIKeyFHKHYUQGNYUCBM-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.05
Rot. Bonds5

About 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 170938100) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID170938100
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCOc1cccc(Cn2cc(-c3ccc(Cl)c(F)c3)c3ccc(C(N)=O)nc32)n1
InChIInChI=1S/C21H16ClFN4O2/c1-29-19-4-2-3-13(25-19)10-27-11-15(12-5-7-16(22)17(23)9-12)14-6-8-18(20(24)28)26-21(14)27/h2-9,11H,10H2,1H3,(H2,24,28)
InChIKeyFHKHYUQGNYUCBM-UHFFFAOYSA-N
XLogP4.05
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 170938100) is 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is COc1cccc(Cn2cc(-c3ccc(Cl)c(F)c3)c3ccc(C(N)=O)nc32)n1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is FHKHYUQGNYUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-29-19-4-2-3-13(25-19)10-27-11-15(12-5-7-16(22)17(23)9-12)14-6-8-18(20(24)28)26-21(14)27/h2-9,11H,10H2,1H3,(H2,24,28).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 170938100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).