(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide

C14H19N5O2 — CID 82963463

IUPAC(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2/c1-8(2)13(15)14(21)16-7-12(20)18-10-3-4-11-9(5-10)6-17-19-11/h3-6,8,13H,7,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyRIXLRAMCQGUBQI-ZDUSSCGKSA-N
MW289.34 g/mol
LogP0.60
Rot. Bonds5

About (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963463) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID82963463
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2/c1-8(2)13(15)14(21)16-7-12(20)18-10-3-4-11-9(5-10)6-17-19-11/h3-6,8,13H,7,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyRIXLRAMCQGUBQI-ZDUSSCGKSA-N
XLogP0.60
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
6-amino-N-(1H-indazol-5-yl)-2-methylheptanamide
CID 65290989
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
(2S)-2-amino-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81433320
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(1H-indazol-5-yl)acetamide
CID 110450636
(2S)-2-amino-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961362
(2S)-2-amino-N-[2-(4-bromo-3-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82962397
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide (CID 82963463) is (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is RIXLRAMCQGUBQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)13(15)14(21)16-7-12(20)18-10-3-4-11-9(5-10)6-17-19-11/h3-6,8,13H,7,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 289.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).