2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C22H16Cl2N4O2S — CID 10174054

About 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 10174054) has the molecular formula C22H16Cl2N4O2S and a molecular weight of 471.37 g/mol. Its IUPAC name is 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 10174054
• Molecular Formula: C22H16Cl2N4O2S
• Molecular Weight: 471.37 g/mol
• Exact Mass: 470.04
• IUPAC Name: 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
• SMILES: O=C(N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)c1cccnc1
• InChI: InChI=1S/C22H16Cl2N4O2S/c23-17-19-16(31-20(17)24)9-15(26-19)22(30)27-14-8-11-4-1-2-6-13(11)18(14)28-21(29)12-5-3-7-25-10-12/h1-7,9-10,14,18,26H,8H2,(H,27,30)(H,28,29)/t14-,18-/m0/s1
• InChIKey: YKWPAIDXYVKFMH-KSSFIOAISA-N
• XLogP: 4.76
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.37
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 10174054) is 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)c1cccnc1.

What is the InChIKey of 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The InChIKey is YKWPAIDXYVKFMH-KSSFIOAISA-N. The full InChI is InChI=1S/C22H16Cl2N4O2S/c23-17-19-16(31-20(17)24)9-15(26-19)22(30)27-14-8-11-4-1-2-6-13(11)18(14)28-21(29)12-5-3-7-25-10-12/h1-7,9-10,14,18,26H,8H2,(H,27,30)(H,28,29)/t14-,18-/m0/s1.

What are the key properties of 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 471.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 10174054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).