N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

C26H20ClFN4O — CID 118212973

IUPACN-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C26H20ClFN4O/c1-15-6-25-22(23(27)14-31-25)11-19(15)12-32-26(33)17-4-5-29-21(10-17)8-16-2-3-24-18(7-16)9-20(28)13-30-24/h2-7,9-11,13-14,31H,8,12H2,1H3,(H,32,33)
InChIKeyFUNVZDSEGNTTJW-UHFFFAOYSA-N
MW458.92 g/mol
LogP5.73
Rot. Bonds5

About N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212973) has the molecular formula C26H20ClFN4O and a molecular weight of 458.92 g/mol. Its IUPAC name is N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118212973
Molecular FormulaC26H20ClFN4O
Molecular Weight458.92 g/mol
Exact Mass458.13
IUPAC NameN-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1
InChIInChI=1S/C26H20ClFN4O/c1-15-6-25-22(23(27)14-31-25)11-19(15)12-32-26(33)17-4-5-29-21(10-17)8-16-2-3-24-18(7-16)9-20(28)13-30-24/h2-7,9-11,13-14,31H,8,12H2,1H3,(H,32,33)
InChIKeyFUNVZDSEGNTTJW-UHFFFAOYSA-N
XLogP5.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-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 N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118212973) is N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1.
What is the InChIKey of N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is FUNVZDSEGNTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O/c1-15-6-25-22(23(27)14-31-25)11-19(15)12-32-26(33)17-4-5-29-21(10-17)8-16-2-3-24-18(7-16)9-20(28)13-30-24/h2-7,9-11,13-14,31H,8,12H2,1H3,(H,32,33).
What are the key properties of N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-methyl-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).