2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride

C42H41Cl3F2N10O7S2 — CID 162135141

About 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride

2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride (PubChem CID 162135141) has the molecular formula C42H41Cl3F2N10O7S2 and a molecular weight of 1006.34 g/mol. Its IUPAC name is 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride
• PubChem CID: 162135141
• Molecular Formula: C42H41Cl3F2N10O7S2
• Molecular Weight: 1006.34 g/mol
• Exact Mass: 1004.16
• IUPAC Name: 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride
• SMILES: Cl.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccsc12.NC(=O)c1nn(CC(=O)O)c2ccsc12.O=C(NCc1cccc(Cl)c1F)[C@@H]1C[C@H]2C[C@H]2N1
• InChI: InChI=1S/C21H19ClFN5O3S.C13H14ClFN2O.C8H7N3O3S.ClH/c22-12-3-1-2-10(17(12)23)8-25-21(31)15-7-11-6-14(11)28(15)16(29)9-27-13-4-5-32-19(13)18(26-27)20(24)30;14-9-3-1-2-7(12(9)15)6-16-13(18)11-5-8-4-10(8)17-11;9-8(14)6-7-4(1-2-15-7)11(10-6)3-5(12)13;/h1-5,11,14-15H,6-9H2,(H2,24,30)(H,25,31);1-3,8,10-11,17H,4-6H2,(H,16,18);1-2H,3H2,(H2,9,14)(H,12,13);1H/t11-,14-,15+;8-,10-,11+;;/m11../s1
• InChIKey: KYUBUBJYGSUWIA-LWDHALEOSA-N
• XLogP: 4.84
• TPSA: 249.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1006.34
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride?

The IUPAC name of 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride (CID 162135141) is 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride.

What is the SMILES notation for 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride?

The canonical SMILES for 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride is Cl.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccsc12.NC(=O)c1nn(CC(=O)O)c2ccsc12.O=C(NCc1cccc(Cl)c1F)[C@@H]1C[C@H]2C[C@H]2N1.

What is the InChIKey of 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride?

The InChIKey is KYUBUBJYGSUWIA-LWDHALEOSA-N. The full InChI is InChI=1S/C21H19ClFN5O3S.C13H14ClFN2O.C8H7N3O3S.ClH/c22-12-3-1-2-10(17(12)23)8-25-21(31)15-7-11-6-14(11)28(15)16(29)9-27-13-4-5-32-19(13)18(26-27)20(24)30;14-9-3-1-2-7(12(9)15)6-16-13(18)11-5-8-4-10(8)17-11;9-8(14)6-7-4(1-2-15-7)11(10-6)3-5(12)13;/h1-5,11,14-15H,6-9H2,(H2,24,30)(H,25,31);1-3,8,10-11,17H,4-6H2,(H,16,18);1-2H,3H2,(H2,9,14)(H,12,13);1H/t11-,14-,15+;8-,10-,11+;;/m11../s1.

What are the key properties of 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride?

2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 1006.34 g/mol, XLogP of 4.84, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-carbamoylthieno[3,2-c]pyrazol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]thieno[3,2-c]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 162135141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).