N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide

C16H10BrF2N5O — CID 155128839

IUPACN-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4n[nH]c(Br)c4c3)c(F)cc21
InChIInChI=1S/C16H10BrF2N5O/c1-24-12-5-10(18)13(14(19)9(12)6-20-24)16(25)21-7-2-3-11-8(4-7)15(17)23-22-11/h2-6H,1H3,(H,21,25)(H,22,23)
InChIKeyFICUZCHYQBJETO-UHFFFAOYSA-N
MW406.19 g/mol
LogP3.74
Rot. Bonds2

About N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide

N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide (PubChem CID 155128839) has the molecular formula C16H10BrF2N5O and a molecular weight of 406.19 g/mol. Its IUPAC name is N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide
PubChem CID155128839
Molecular FormulaC16H10BrF2N5O
Molecular Weight406.19 g/mol
Exact Mass405.00
IUPAC NameN-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4n[nH]c(Br)c4c3)c(F)cc21
InChIInChI=1S/C16H10BrF2N5O/c1-24-12-5-10(18)13(14(19)9(12)6-20-24)16(25)21-7-2-3-11-8(4-7)15(17)23-22-11/h2-6H,1H3,(H,21,25)(H,22,23)
InChIKeyFICUZCHYQBJETO-UHFFFAOYSA-N
XLogP3.74
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide (CID 155128839) is N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4n[nH]c(Br)c4c3)c(F)cc21.
What is the InChIKey of N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide?
The InChIKey is FICUZCHYQBJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2N5O/c1-24-12-5-10(18)13(14(19)9(12)6-20-24)16(25)21-7-2-3-11-8(4-7)15(17)23-22-11/h2-6H,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide?
N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide has a molecular weight of 406.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2H-indazol-5-yl)-4,6-difluoro-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155128839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).