1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C21H18BrClN4 — CID 25093259

IUPAC1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cc(Cl)cc(Br)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H18BrClN4/c1-13(15-6-4-3-5-7-15)25-21-11-20-19(12-24-21)14(2)26-27(20)18-9-16(22)8-17(23)10-18/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyIQCGVYULCXCSLD-ZDUSSCGKSA-N
MW441.76 g/mol
LogP6.32
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093259) has the molecular formula C21H18BrClN4 and a molecular weight of 441.76 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093259
Molecular FormulaC21H18BrClN4
Molecular Weight441.76 g/mol
Exact Mass440.04
IUPAC Name1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cc(Cl)cc(Br)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H18BrClN4/c1-13(15-6-4-3-5-7-15)25-21-11-20-19(12-24-21)14(2)26-27(20)18-9-16(22)8-17(23)10-18/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyIQCGVYULCXCSLD-ZDUSSCGKSA-N
XLogP6.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093259) is 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2cc(Cl)cc(Br)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is IQCGVYULCXCSLD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H18BrClN4/c1-13(15-6-4-3-5-7-15)25-21-11-20-19(12-24-21)14(2)26-27(20)18-9-16(22)8-17(23)10-18/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 441.76 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).