2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid

C17H23N3O4S — CID 119214852

IUPAC2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)NC3(CC(=O)O)CCOCC3)cc12
InChIInChI=1S/C17H23N3O4S/c1-10(2)14-11-8-12(25-16(11)20(3)19-14)15(23)18-17(9-13(21)22)4-6-24-7-5-17/h8,10H,4-7,9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyKXVXGLVRENCPDO-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 119214852) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID119214852
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)NC3(CC(=O)O)CCOCC3)cc12
InChIInChI=1S/C17H23N3O4S/c1-10(2)14-11-8-12(25-16(11)20(3)19-14)15(23)18-17(9-13(21)22)4-6-24-7-5-17/h8,10H,4-7,9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyKXVXGLVRENCPDO-UHFFFAOYSA-N
XLogP2.51
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
2-[4-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521521
N-(2-amino-2-methylpropyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119628799
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163
2-[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214606
2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119178061
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119607661
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
2-[4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215417
2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 138033265
1-methyl-N-piperidin-3-yl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119427314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid (CID 119214852) is 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid is CC(C)c1nn(C)c2sc(C(=O)NC3(CC(=O)O)CCOCC3)cc12.
What is the InChIKey of 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is KXVXGLVRENCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-10(2)14-11-8-12(25-16(11)20(3)19-14)15(23)18-17(9-13(21)22)4-6-24-7-5-17/h8,10H,4-7,9H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 365.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).