5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

C23H26ClN5O3S2 — CID 89419873

About 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide

5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 89419873) has the molecular formula C23H26ClN5O3S2 and a molecular weight of 520.08 g/mol. Its IUPAC name is 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
• PubChem CID: 89419873
• Molecular Formula: C23H26ClN5O3S2
• Molecular Weight: 520.08 g/mol
• Exact Mass: 519.12
• IUPAC Name: 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
• SMILES: C[C@@]1(c2sc(C(=O)NCc3cnn4ccccc34)cc2Cl)CS(=O)(=O)C2(CCCCC2)C(N)=N1
• InChI: InChI=1S/C23H26ClN5O3S2/c1-22(14-34(31,32)23(21(25)28-22)8-4-2-5-9-23)19-16(24)11-18(33-19)20(30)26-12-15-13-27-29-10-6-3-7-17(15)29/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,25,28)(H,26,30)/t22-/m0/s1
• InChIKey: XWZZAZLPUHKFIP-QFIPXVFZSA-N
• XLogP: 3.68
• TPSA: 118.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.08
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?

The IUPAC name of 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 89419873) is 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?

The canonical SMILES for 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is C[C@@]1(c2sc(C(=O)NCc3cnn4ccccc34)cc2Cl)CS(=O)(=O)C2(CCCCC2)C(N)=N1.

What is the InChIKey of 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?

The InChIKey is XWZZAZLPUHKFIP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26ClN5O3S2/c1-22(14-34(31,32)23(21(25)28-22)8-4-2-5-9-23)19-16(24)11-18(33-19)20(30)26-12-15-13-27-29-10-6-3-7-17(15)29/h3,6-7,10-11,13H,2,4-5,8-9,12,14H2,1H3,(H2,25,28)(H,26,30)/t22-/m0/s1.

What are the key properties of 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide?

5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 520.08 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-5-amino-3-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 89419873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).