4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide

C24H22Cl2N6O2 — CID 10239139

IUPAC4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)Nc3ccccc3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2N6O2/c25-19-8-6-14(12-20(19)26)17(10-11-27)23(33)28-16-7-9-21-18(13-16)22(32-31-21)30-24(34)29-15-4-2-1-3-5-15/h1-9,12-13,17H,10-11,27H2,(H,28,33)(H3,29,30,31,32,34)
InChIKeySTJWAAJNXHWQGT-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.58
Rot. Bonds7

About 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide

4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide (PubChem CID 10239139) has the molecular formula C24H22Cl2N6O2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide.

Molecular Properties

Compound Name4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
PubChem CID10239139
Molecular FormulaC24H22Cl2N6O2
Molecular Weight497.39 g/mol
Exact Mass496.12
IUPAC Name4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)Nc3ccccc3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H22Cl2N6O2/c25-19-8-6-14(12-20(19)26)17(10-11-27)23(33)28-16-7-9-21-18(13-16)22(32-31-21)30-24(34)29-15-4-2-1-3-5-15/h1-9,12-13,17H,10-11,27H2,(H,28,33)(H3,29,30,31,32,34)
InChIKeySTJWAAJNXHWQGT-UHFFFAOYSA-N
XLogP5.58
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
CID 10152751
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
4-amino-N-[4-amino-3-(N'-benzylcarbamimidoyl)phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270772
4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270984
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
N-[amino-[2-amino-5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]phenyl]methylidene]-1,3-benzodioxole-5-carboxamide;4-amino-N-[4-amino-3-[N'-[(3-chlorophenyl)carbamoyl]carbamimidoyl]phenyl]-2-(3,4-dichlorophenyl)butanamide;N-[2-amino-5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]benzenecarboximidoyl]-3-cyanobenzamide;N-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]-4-isocyanobenzamide;N-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]-4-phenylbenzamide
CID 160588146
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide?
The IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide (CID 10239139) is 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide.
What is the SMILES notation for 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide?
The canonical SMILES for 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide is NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)Nc3ccccc3)c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide?
The InChIKey is STJWAAJNXHWQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2/c25-19-8-6-14(12-20(19)26)17(10-11-27)23(33)28-16-7-9-21-18(13-16)22(32-31-21)30-24(34)29-15-4-2-1-3-5-15/h1-9,12-13,17H,10-11,27H2,(H,28,33)(H3,29,30,31,32,34).
What are the key properties of 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide?
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide has a molecular weight of 497.39 g/mol, XLogP of 5.58, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide is sourced from PubChem (CID 10239139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).