6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide

C17H18BrN5OS — CID 71810035

IUPAC6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C17H18BrN5OS/c1-22-15(13-3-2-11(18)10-14(13)21-22)16(24)20-12-4-7-23(8-5-12)17-19-6-9-25-17/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,24)
InChIKeyBLHXVZUSLWSXBI-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.19
Rot. Bonds3

About 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide

6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide (PubChem CID 71810035) has the molecular formula C17H18BrN5OS and a molecular weight of 420.34 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide
PubChem CID71810035
Molecular FormulaC17H18BrN5OS
Molecular Weight420.34 g/mol
Exact Mass419.04
IUPAC Name6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C17H18BrN5OS/c1-22-15(13-3-2-11(18)10-14(13)21-22)16(24)20-12-4-7-23(8-5-12)17-19-6-9-25-17/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,24)
InChIKeyBLHXVZUSLWSXBI-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide (CID 71810035) is 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide is Cn1nc2cc(Br)ccc2c1C(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide?
The InChIKey is BLHXVZUSLWSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5OS/c1-22-15(13-3-2-11(18)10-14(13)21-22)16(24)20-12-4-7-23(8-5-12)17-19-6-9-25-17/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,24).
What are the key properties of 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide?
6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indazole-3-carboxamide is sourced from PubChem (CID 71810035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).