N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide

C26H19ClN6O — CID 118665301

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1
InChIInChI=1S/C26H19ClN6O/c1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24/h2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33)
InChIKeySABOZYHOSJEBNR-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.86
Rot. Bonds5

About N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665301) has the molecular formula C26H19ClN6O and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665301
Molecular FormulaC26H19ClN6O
Molecular Weight466.93 g/mol
Exact Mass466.13
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1
InChIInChI=1S/C26H19ClN6O/c1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24/h2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33)
InChIKeySABOZYHOSJEBNR-UHFFFAOYSA-N
XLogP4.86
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665301) is N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cnc2c(C#N)cc(Cc3cc(C(=O)NCc4[nH]nc5ccc(Cl)cc45)ccn3)cc2c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is SABOZYHOSJEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6O/c1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24/h2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).