(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide

C12H16N4O — CID 79012424

IUPAC(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H16N4O/c1-7(2)10(13)12(17)15-9-5-3-4-8-6-14-16-11(8)9/h3-7,10H,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyTVDILHBPZWECCR-SNVBAGLBSA-N
MW232.29 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide

(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide (PubChem CID 79012424) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
PubChem CID79012424
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H16N4O/c1-7(2)10(13)12(17)15-9-5-3-4-8-6-14-16-11(8)9/h3-7,10H,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyTVDILHBPZWECCR-SNVBAGLBSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-7-yl)-2-methylpropanamide
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(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
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2-amino-N-(1H-indazol-7-yl)-3-methoxypropanamide
CID 81082479
2-amino-N-(1H-indazol-7-yl)-4-methoxybutanamide
CID 55081109
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
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N-(1H-indazol-7-yl)butanamide
CID 36575526
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
CID 110471105
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
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2,3-difluoro-N-(1H-indazol-7-yl)benzamide
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(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide (CID 79012424) is (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide?
The InChIKey is TVDILHBPZWECCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)10(13)12(17)15-9-5-3-4-8-6-14-16-11(8)9/h3-7,10H,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide?
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide has a molecular weight of 232.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide is sourced from PubChem (CID 79012424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).