N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide

C20H28N4O2 — CID 121491668

IUPACN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyKJNZIEGLNLCWTQ-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.86
Rot. Bonds6

About N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide

N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide (PubChem CID 121491668) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
PubChem CID121491668
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyKJNZIEGLNLCWTQ-QGZVFWFLSA-N
XLogP2.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-4-amino-3-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid
CID 125181267
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 74951471
(2S,3R)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanedioic acid
CID 125181319
1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969654
methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
CID 102333976
ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 70969672
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide
CID 118964467
1-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylbutan-2-yl)indazole-3-carboxamide
CID 143855601
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[[(2R)-5-oxooxolan-2-yl]methyl]indazole-3-carboxamide
CID 143855367
1-[(4,4-difluorocyclohexyl)methyl]-N-[1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969737
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide (CID 121491668) is N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide is CC(C)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide?
The InChIKey is KJNZIEGLNLCWTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide?
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 121491668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).