N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

C23H26ClF2N5OS — CID 155510581

About N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 155510581) has the molecular formula C23H26ClF2N5OS and a molecular weight of 494.01 g/mol. Its IUPAC name is N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 155510581
• Molecular Formula: C23H26ClF2N5OS
• Molecular Weight: 494.01 g/mol
• Exact Mass: 493.15
• IUPAC Name: N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
• SMILES: Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@@H]5CCN[C@@H]5C4)cc3F)sc2n1.Cl
• InChI: InChI=1S/C23H25F2N5OS.ClH/c1-12-2-3-15-20(26)21(32-23(15)29-12)22(31)28-7-4-13-8-17(25)19(9-16(13)24)30-10-14-5-6-27-18(14)11-30;/h2-3,8-9,14,18,27H,4-7,10-11,26H2,1H3,(H,28,31);1H/t14-,18+;/m0./s1
• InChIKey: UKZCAMRHIWMBCV-QLOBERJESA-N
• XLogP: 3.66
• TPSA: 83.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.01
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 155510581) is N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@@H]5CCN[C@@H]5C4)cc3F)sc2n1.Cl.

What is the InChIKey of N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?

The InChIKey is UKZCAMRHIWMBCV-QLOBERJESA-N. The full InChI is InChI=1S/C23H25F2N5OS.ClH/c1-12-2-3-15-20(26)21(32-23(15)29-12)22(31)28-7-4-13-8-17(25)19(9-16(13)24)30-10-14-5-6-27-18(14)11-30;/h2-3,8-9,14,18,27H,4-7,10-11,26H2,1H3,(H,28,31);1H/t14-,18+;/m0./s1.

What are the key properties of N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?

N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 494.01 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155510581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).