5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide

C17H19BrN4O4S — CID 30862452

IUPAC5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2)NC[C@H]1CCCO1
InChIInChI=1S/C17H19BrN4O4S/c18-14-4-3-13(26-14)17(24)20-16-11-8-27-9-12(11)21-22(16)7-15(23)19-6-10-2-1-5-25-10/h3-4,10H,1-2,5-9H2,(H,19,23)(H,20,24)/t10-/m1/s1
InChIKeyBCAVGIKKJQMVAJ-SNVBAGLBSA-N
MW455.33 g/mol
LogP2.53
Rot. Bonds6

About 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 30862452) has the molecular formula C17H19BrN4O4S and a molecular weight of 455.33 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
PubChem CID30862452
Molecular FormulaC17H19BrN4O4S
Molecular Weight455.33 g/mol
Exact Mass454.03
IUPAC Name5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2)NC[C@H]1CCCO1
InChIInChI=1S/C17H19BrN4O4S/c18-14-4-3-13(26-14)17(24)20-16-11-8-27-9-12(11)21-22(16)7-15(23)19-6-10-2-1-5-25-10/h3-4,10H,1-2,5-9H2,(H,19,23)(H,20,24)/t10-/m1/s1
InChIKeyBCAVGIKKJQMVAJ-SNVBAGLBSA-N
XLogP2.53
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-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

2-chloro-N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862513
2-(4-ethoxyphenyl)-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 30862540
N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 30862500
2-(1,2-benzoxazol-3-yl)-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 51696585
N'-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7423979
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 19525400
5-bromo-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17205947
N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 30862815
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methoxybenzamide
CID 30862726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide (CID 30862452) is 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide is O=C(Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2)NC[C@H]1CCCO1.
What is the InChIKey of 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is BCAVGIKKJQMVAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19BrN4O4S/c18-14-4-3-13(26-14)17(24)20-16-11-8-27-9-12(11)21-22(16)7-15(23)19-6-10-2-1-5-25-10/h3-4,10H,1-2,5-9H2,(H,19,23)(H,20,24)/t10-/m1/s1.
What are the key properties of 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 455.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 30862452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).