2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid

C14H17N5O3 — CID 167940471

IUPAC2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1[nH]nc2c1CCC(Nc1nccn(CC(=O)O)c1=O)C2
InChIInChI=1S/C14H17N5O3/c1-8-10-3-2-9(6-11(10)18-17-8)16-13-14(22)19(5-4-15-13)7-12(20)21/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)(H,20,21)
InChIKeyQQHILYBJJOJGBF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.33
Rot. Bonds4

About 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid

2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167940471) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID167940471
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1[nH]nc2c1CCC(Nc1nccn(CC(=O)O)c1=O)C2
InChIInChI=1S/C14H17N5O3/c1-8-10-3-2-9(6-11(10)18-17-8)16-13-14(22)19(5-4-15-13)7-12(20)21/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)(H,20,21)
InChIKeyQQHILYBJJOJGBF-UHFFFAOYSA-N
XLogP0.33
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-(3-bicyclo[3.2.1]octanylamino)-2-oxopyrazin-1-yl]acetic acid
CID 167840076
2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
CID 167863491
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
(2R,3S)-2-[(2-aminoacetyl)amino]-3-hydroxy-N-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)butanamide
CID 167798306
methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
CID 129091507
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63660882
2-[3-[(6,6-difluoro-1-bicyclo[3.1.0]hexanyl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167776568
2-[3-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167848393
2-[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxopyrazin-1-yl]acetic acid
CID 167809627
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
CID 24895862
2-[2-oxo-3-(2-spiro[3.3]heptan-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 166356949

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid (CID 167940471) is 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid is Cc1[nH]nc2c1CCC(Nc1nccn(CC(=O)O)c1=O)C2.
What is the InChIKey of 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is QQHILYBJJOJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8-10-3-2-9(6-11(10)18-17-8)16-13-14(22)19(5-4-15-13)7-12(20)21/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)(H,20,21).
What are the key properties of 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid?
2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)amino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167940471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).