1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C20H21BrN6O3 — CID 130299896

IUPAC1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C20H21BrN6O3/c1-11(2)17(20(30)24-15-9-5-8-14(21)23-15)25-16(28)10-27-13-7-4-3-6-12(13)18(26-27)19(22)29/h3-9,11,17H,10H2,1-2H3,(H2,22,29)(H,25,28)(H,23,24,30)/t17-/m1/s1
InChIKeyGQELLUCCHCAQER-QGZVFWFLSA-N
MW473.33 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299896) has the molecular formula C20H21BrN6O3 and a molecular weight of 473.33 g/mol. Its IUPAC name is 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130299896
Molecular FormulaC20H21BrN6O3
Molecular Weight473.33 g/mol
Exact Mass472.09
IUPAC Name1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C20H21BrN6O3/c1-11(2)17(20(30)24-15-9-5-8-14(21)23-15)25-16(28)10-27-13-7-4-3-6-12(13)18(26-27)19(22)29/h3-9,11,17H,10H2,1-2H3,(H2,22,29)(H,25,28)(H,23,24,30)/t17-/m1/s1
InChIKeyGQELLUCCHCAQER-QGZVFWFLSA-N
XLogP2.07
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299678
tert-butyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]amino]propanoate
CID 130300102
1-[2-[(2S,3aS,6aS)-2-[(6-bromo-2-pyridinyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217075
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299805
1-[2-[[3-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]amino]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazole-3-carboxamide
CID 142496277
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
CID 175278200
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299670
1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 139507757

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 130299896) is 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)Nc1cccc(Br)n1.
What is the InChIKey of 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is GQELLUCCHCAQER-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21BrN6O3/c1-11(2)17(20(30)24-15-9-5-8-14(21)23-15)25-16(28)10-27-13-7-4-3-6-12(13)18(26-27)19(22)29/h3-9,11,17H,10H2,1-2H3,(H2,22,29)(H,25,28)(H,23,24,30)/t17-/m1/s1.
What are the key properties of 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 473.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).