4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide

C15H15BrN4OS — CID 166329289

IUPAC4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
SMILESNCC(CC(=O)Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1
InChIInChI=1S/C15H15BrN4OS/c16-14-4-3-13(22-14)10(7-17)5-15(21)19-11-2-1-9-8-18-20-12(9)6-11/h1-4,6,8,10H,5,7,17H2,(H,18,20)(H,19,21)
InChIKeyJJWICQFGWMSAHI-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.46
Rot. Bonds5

About 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide

4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide (PubChem CID 166329289) has the molecular formula C15H15BrN4OS and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
PubChem CID166329289
Molecular FormulaC15H15BrN4OS
Molecular Weight379.28 g/mol
Exact Mass378.01
IUPAC Name4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
SMILESNCC(CC(=O)Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1
InChIInChI=1S/C15H15BrN4OS/c16-14-4-3-13(22-14)10(7-17)5-15(21)19-11-2-1-9-8-18-20-12(9)6-11/h1-4,6,8,10H,5,7,17H2,(H,18,20)(H,19,21)
InChIKeyJJWICQFGWMSAHI-UHFFFAOYSA-N
XLogP3.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
4-amino-3-(5-bromothiophen-2-yl)-N-(4-pyridin-4-yloxyphenyl)butanamide
CID 166365290
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
4-amino-3-(5-bromothiophen-2-yl)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]butanamide
CID 166365423
2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide?
The IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide (CID 166329289) is 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide?
The canonical SMILES for 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide is NCC(CC(=O)Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1.
What is the InChIKey of 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide?
The InChIKey is JJWICQFGWMSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4OS/c16-14-4-3-13(22-14)10(7-17)5-15(21)19-11-2-1-9-8-18-20-12(9)6-11/h1-4,6,8,10H,5,7,17H2,(H,18,20)(H,19,21).
What are the key properties of 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide?
4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide has a molecular weight of 379.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide is sourced from PubChem (CID 166329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).