N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

C20H29N5O3S — CID 66827873

IUPACN-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(NCC(N)=O)CC3)cc12
InChIInChI=1S/C20H29N5O3S/c1-12-16-10-17(29-20(16)25(24-12)15-6-8-28-9-7-15)19(27)23-14-4-2-13(3-5-14)22-11-18(21)26/h10,13-15,22H,2-9,11H2,1H3,(H2,21,26)(H,23,27)
InChIKeyGEEWCVYVCSOTCT-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.87
Rot. Bonds6

About N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66827873) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66827873
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(NCC(N)=O)CC3)cc12
InChIInChI=1S/C20H29N5O3S/c1-12-16-10-17(29-20(16)25(24-12)15-6-8-28-9-7-15)19(27)23-14-4-2-13(3-5-14)22-11-18(21)26/h10,13-15,22H,2-9,11H2,1H3,(H2,21,26)(H,23,27)
InChIKeyGEEWCVYVCSOTCT-UHFFFAOYSA-N
XLogP1.87
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide 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-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
CB2 Inhibitor, 2
CID 16376054
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 3242544
N-{2-[butyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 20857612
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2521695
3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3242757
N-[2-(dipropylamino)ethyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16020312
N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20857598

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 66827873) is N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(NCC(N)=O)CC3)cc12.
What is the InChIKey of N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GEEWCVYVCSOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-12-16-10-17(29-20(16)25(24-12)15-6-8-28-9-7-15)19(27)23-14-4-2-13(3-5-14)22-11-18(21)26/h10,13-15,22H,2-9,11H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66827873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).