1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide

C23H14Cl2FN7O — CID 134178038

IUPAC1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESN#Cc1nn(Cc2cc(F)c3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C23H14Cl2FN7O/c24-14-1-2-19-16(6-14)21(31-30-19)9-29-23(34)17-11-33(32-20(17)7-27)10-12-3-13-5-15(25)8-28-22(13)18(26)4-12/h1-6,8,11H,9-10H2,(H,29,34)(H,30,31)
InChIKeyFZQKNWVIDPCNAL-UHFFFAOYSA-N
MW494.32 g/mol
LogP4.60
Rot. Bonds5

About 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide

1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide (PubChem CID 134178038) has the molecular formula C23H14Cl2FN7O and a molecular weight of 494.32 g/mol. Its IUPAC name is 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide
PubChem CID134178038
Molecular FormulaC23H14Cl2FN7O
Molecular Weight494.32 g/mol
Exact Mass493.06
IUPAC Name1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESN#Cc1nn(Cc2cc(F)c3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C23H14Cl2FN7O/c24-14-1-2-19-16(6-14)21(31-30-19)9-29-23(34)17-11-33(32-20(17)7-27)10-12-3-13-5-15(25)8-28-22(13)18(26)4-12/h1-6,8,11H,9-10H2,(H,29,34)(H,30,31)
InChIKeyFZQKNWVIDPCNAL-UHFFFAOYSA-N
XLogP4.60
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.32
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The IUPAC name of 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide (CID 134178038) is 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The canonical SMILES for 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide is N#Cc1nn(Cc2cc(F)c3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The InChIKey is FZQKNWVIDPCNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2FN7O/c24-14-1-2-19-16(6-14)21(31-30-19)9-29-23(34)17-11-33(32-20(17)7-27)10-12-3-13-5-15(25)8-28-22(13)18(26)4-12/h1-6,8,11H,9-10H2,(H,29,34)(H,30,31).
What are the key properties of 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide?
1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide has a molecular weight of 494.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]-3-cyanopyrazole-4-carboxamide is sourced from PubChem (CID 134178038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).