N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide

C11H13BrN4O — CID 120504693

IUPACN-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN4O/c1-6(5-13)14-11(17)10-8-4-7(12)2-3-9(8)15-16-10/h2-4,6H,5,13H2,1H3,(H,14,17)(H,15,16)/t6-/m0/s1
InChIKeyGCEWAKGXDHQJBB-LURJTMIESA-N
MW297.16 g/mol
LogP1.40
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide (PubChem CID 120504693) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
PubChem CID120504693
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN4O/c1-6(5-13)14-11(17)10-8-4-7(12)2-3-9(8)15-16-10/h2-4,6H,5,13H2,1H3,(H,14,17)(H,15,16)/t6-/m0/s1
InChIKeyGCEWAKGXDHQJBB-LURJTMIESA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
methyl (2S)-2-[(5-bromo-1H-indazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 165362085
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
5-bromo-1H-indazole-3-carboxylate
CID 7157357
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
CID 166150369
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide (CID 120504693) is N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide is C[C@@H](CN)NC(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide?
The InChIKey is GCEWAKGXDHQJBB-LURJTMIESA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6(5-13)14-11(17)10-8-4-7(12)2-3-9(8)15-16-10/h2-4,6H,5,13H2,1H3,(H,14,17)(H,15,16)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide is sourced from PubChem (CID 120504693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).