[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate

C23H27N5O4S — CID 89437726

IUPAC[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
SMILESCC(=O)ON(C)C(=O)NC1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C23H27N5O4S/c1-14-19-13-20(33-22(19)28(26-14)18-7-5-4-6-8-18)21(30)24-16-9-11-17(12-10-16)25-23(31)27(3)32-15(2)29/h4-8,13,16-17H,9-12H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyGIIHVPOHVFHYRZ-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.56
Rot. Bonds4

About [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate

[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate (PubChem CID 89437726) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate.

Molecular Properties

Compound Name[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
PubChem CID89437726
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
SMILESCC(=O)ON(C)C(=O)NC1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C23H27N5O4S/c1-14-19-13-20(33-22(19)28(26-14)18-7-5-4-6-8-18)21(30)24-16-9-11-17(12-10-16)25-23(31)27(3)32-15(2)29/h4-8,13,16-17H,9-12H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyGIIHVPOHVFHYRZ-UHFFFAOYSA-N
XLogP3.56
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate with MolForge

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N-[4-(4-methoxypiperidin-1-yl)cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819697
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 48505983
3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819147
cis-(1R,3R)-1-methyl-3-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66819487
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[carbamoyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]amino] acetate
CID 89437742
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786

Frequently Asked Questions

What is the IUPAC name of [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate?
The IUPAC name of [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate (CID 89437726) is [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate.
What is the SMILES notation for [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate?
The canonical SMILES for [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate is CC(=O)ON(C)C(=O)NC1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1.
What is the InChIKey of [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate?
The InChIKey is GIIHVPOHVFHYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-14-19-13-20(33-22(19)28(26-14)18-7-5-4-6-8-18)21(30)24-16-9-11-17(12-10-16)25-23(31)27(3)32-15(2)29/h4-8,13,16-17H,9-12H2,1-3H3,(H,24,30)(H,25,31).
What are the key properties of [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate?
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate has a molecular weight of 469.57 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate is sourced from PubChem (CID 89437726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).