[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate

C14H12BrN5O4S — CID 170352570

IUPAC[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate
SMILESCS(=O)(=O)NC(=O)Oc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C14H12BrN5O4S/c1-25(22,23)20-14(21)24-11-6-7(2-3-17-11)8-4-9-12(10(15)5-8)18-19-13(9)16/h2-6H,1H3,(H,20,21)(H3,16,18,19)
InChIKeyJCKDSVJJQKIHMW-UHFFFAOYSA-N
MW426.25 g/mol
LogP2.02
Rot. Bonds3

About [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate

[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate (PubChem CID 170352570) has the molecular formula C14H12BrN5O4S and a molecular weight of 426.25 g/mol. Its IUPAC name is [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate.

Molecular Properties

Compound Name[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate
PubChem CID170352570
Molecular FormulaC14H12BrN5O4S
Molecular Weight426.25 g/mol
Exact Mass424.98
IUPAC Name[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate
SMILESCS(=O)(=O)NC(=O)Oc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C14H12BrN5O4S/c1-25(22,23)20-14(21)24-11-6-7(2-3-17-11)8-4-9-12(10(15)5-8)18-19-13(9)16/h2-6H,1H3,(H,20,21)(H3,16,18,19)
InChIKeyJCKDSVJJQKIHMW-UHFFFAOYSA-N
XLogP2.02
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate?
The IUPAC name of [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate (CID 170352570) is [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate.
What is the SMILES notation for [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate?
The canonical SMILES for [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate is CS(=O)(=O)NC(=O)Oc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate?
The InChIKey is JCKDSVJJQKIHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O4S/c1-25(22,23)20-14(21)24-11-6-7(2-3-17-11)8-4-9-12(10(15)5-8)18-19-13(9)16/h2-6H,1H3,(H,20,21)(H3,16,18,19).
What are the key properties of [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate?
[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate has a molecular weight of 426.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate is sourced from PubChem (CID 170352570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).