1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide

C25H22FN5O — CID 50938948

IUPAC1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C(N)=O)cc21
InChIInChI=1S/C25H22FN5O/c1-14-21(18-6-4-5-9-28-18)30-19-11-16(26)7-8-17(19)22(14)31-13-25(2,3)23-20(31)10-15(12-29-23)24(27)32/h4-12H,13H2,1-3H3,(H2,27,32)
InChIKeyQZGHRKRHHGGTQG-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.67
Rot. Bonds3

About 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide

1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 50938948) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID50938948
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C(N)=O)cc21
InChIInChI=1S/C25H22FN5O/c1-14-21(18-6-4-5-9-28-18)30-19-11-16(26)7-8-17(19)22(14)31-13-25(2,3)23-20(31)10-15(12-29-23)24(27)32/h4-12H,13H2,1-3H3,(H2,27,32)
InChIKeyQZGHRKRHHGGTQG-UHFFFAOYSA-N
XLogP4.67
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-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 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide (CID 50938948) is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C(N)=O)cc21.
What is the InChIKey of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is QZGHRKRHHGGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-14-21(18-6-4-5-9-28-18)30-19-11-16(26)7-8-17(19)22(14)31-13-25(2,3)23-20(31)10-15(12-29-23)24(27)32/h4-12H,13H2,1-3H3,(H2,27,32).
What are the key properties of 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide?
1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 50938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).