N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide

C14H12BrN5O — CID 103116225

IUPACN-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ncc(N)cc2Br)c2ccccc21
InChIInChI=1S/C14H12BrN5O/c1-20-11-5-3-2-4-9(11)12(19-20)14(21)18-13-10(15)6-8(16)7-17-13/h2-7H,16H2,1H3,(H,17,18,21)
InChIKeySZDULPOCLNCIEZ-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.57
Rot. Bonds2

About N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide (PubChem CID 103116225) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
PubChem CID103116225
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ncc(N)cc2Br)c2ccccc21
InChIInChI=1S/C14H12BrN5O/c1-20-11-5-3-2-4-9(11)12(19-20)14(21)18-13-10(15)6-8(16)7-17-13/h2-7H,16H2,1H3,(H,17,18,21)
InChIKeySZDULPOCLNCIEZ-UHFFFAOYSA-N
XLogP2.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103118370
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103123877
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
N-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylindazole-3-carboxamide
CID 166321033
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107013249
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylindazole-3-carboxamide
CID 103120434
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide (CID 103116225) is N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)Nc2ncc(N)cc2Br)c2ccccc21.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide?
The InChIKey is SZDULPOCLNCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-20-11-5-3-2-4-9(11)12(19-20)14(21)18-13-10(15)6-8(16)7-17-13/h2-7H,16H2,1H3,(H,17,18,21).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103116225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).