N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine

C12H9BrClN5 — CID 171618349

IUPACN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12
InChIInChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNQCMPFJDRLUVBM-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.82
Rot. Bonds2

About N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine

N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine (PubChem CID 171618349) has the molecular formula C12H9BrClN5 and a molecular weight of 338.60 g/mol. Its IUPAC name is N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
PubChem CID171618349
Molecular FormulaC12H9BrClN5
Molecular Weight338.60 g/mol
Exact Mass336.97
IUPAC NameN-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12
InChIInChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNQCMPFJDRLUVBM-UHFFFAOYSA-N
XLogP3.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The IUPAC name of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine (CID 171618349) is N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine.
What is the SMILES notation for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The canonical SMILES for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine is Cc1[nH]nc2ccc(Nc3nc(Cl)ncc3Br)cc12.
What is the InChIKey of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
The InChIKey is NQCMPFJDRLUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN5/c1-6-8-4-7(2-3-10(8)19-18-6)16-11-9(13)5-15-12(14)17-11/h2-5H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine?
N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine has a molecular weight of 338.60 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloropyrimidin-4-yl)-3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 171618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).