2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide

C26H16Cl2FN5O — CID 118665225

IUPAC2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cc(Cc2cc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C26H16Cl2FN5O/c27-19-6-16-3-14(4-17(10-30)25(16)33-12-19)5-20-7-15(1-2-31-20)26(35)34-11-18-8-21-22(28)13-32-24(21)9-23(18)29/h1-4,6-9,12-13,32H,5,11H2,(H,34,35)
InChIKeyGDWMEKXUNIOULX-UHFFFAOYSA-N
MW504.35 g/mol
LogP5.95
Rot. Bonds5

About 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide

2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665225) has the molecular formula C26H16Cl2FN5O and a molecular weight of 504.35 g/mol. Its IUPAC name is 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID118665225
Molecular FormulaC26H16Cl2FN5O
Molecular Weight504.35 g/mol
Exact Mass503.07
IUPAC Name2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cc(Cc2cc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C26H16Cl2FN5O/c27-19-6-16-3-14(4-17(10-30)25(16)33-12-19)5-20-7-15(1-2-31-20)26(35)34-11-18-8-21-22(28)13-32-24(21)9-23(18)29/h1-4,6-9,12-13,32H,5,11H2,(H,34,35)
InChIKeyGDWMEKXUNIOULX-UHFFFAOYSA-N
XLogP5.95
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.35
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(5-cyano-1H-indol-3-yl)propionamide
CID 11409935
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
cis-3-chloro-N-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 44432577
Porcupine-IN-1
CID 132578555
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
3-{4-[4-(2-Cyano-3-fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11177596
N-[[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-carbazole-2-carboxamide
CID 145972105
N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)isonicotinamide
CID 24852124
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 44389674

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide (CID 118665225) is 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide is N#Cc1cc(Cc2cc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccn2)cc2cc(Cl)cnc12.
What is the InChIKey of 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is GDWMEKXUNIOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2FN5O/c27-19-6-16-3-14(4-17(10-30)25(16)33-12-19)5-20-7-15(1-2-31-20)26(35)34-11-18-8-21-22(28)13-32-24(21)9-23(18)29/h1-4,6-9,12-13,32H,5,11H2,(H,34,35).
What are the key properties of 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 504.35 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).