N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide

C22H26N4O2 — CID 165365257

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CCc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19(20(23)27)24-21(28)18-16-11-7-8-12-17(16)26(25-18)14-13-15-9-5-4-6-10-15/h4-12,19H,13-14H2,1-3H3,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGIUNLIQZFMBOGJ-LJQANCHMSA-N
MW378.48 g/mol
LogP2.91
Rot. Bonds6

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide (PubChem CID 165365257) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide
PubChem CID165365257
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CCc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19(20(23)27)24-21(28)18-16-11-7-8-12-17(16)26(25-18)14-13-15-9-5-4-6-10-15/h4-12,19H,13-14H2,1-3H3,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGIUNLIQZFMBOGJ-LJQANCHMSA-N
XLogP2.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide (CID 165365257) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1nn(CCc2ccccc2)c2ccccc12)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide?
The InChIKey is GIUNLIQZFMBOGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)19(20(23)27)24-21(28)18-16-11-7-8-12-17(16)26(25-18)14-13-15-9-5-4-6-10-15/h4-12,19H,13-14H2,1-3H3,(H2,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide is sourced from PubChem (CID 165365257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).