4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide

C26H33ClF5N5O5S — CID 158451096

About 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide

4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide (PubChem CID 158451096) has the molecular formula C26H33ClF5N5O5S and a molecular weight of 658.09 g/mol. Its IUPAC name is 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
• PubChem CID: 158451096
• Molecular Formula: C26H33ClF5N5O5S
• Molecular Weight: 658.09 g/mol
• Exact Mass: 657.18
• IUPAC Name: 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
• SMILES: CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](CC(F)(F)F)C2CC2)cc1OC(F)F.O=S=O
• InChI: InChI=1S/C26H33ClF5N5O3.O2S/c1-3-37-22(20(27)21(36-37)23(38)34-13-25(39)8-6-14(2)7-9-25)16-12-33-19(10-18(16)40-24(28)29)35-17(15-4-5-15)11-26(30,31)32;1-3-2/h10,12,14-15,17,24,39H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);/t14?,17-,25?;/m0./s1
• InChIKey: HDZLKMSZZZHRMD-ZWTJRFKKSA-N
• XLogP: 5.36
• TPSA: 135.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.09
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The IUPAC name of 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide (CID 158451096) is 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide.

What is the SMILES notation for 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The canonical SMILES for 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](CC(F)(F)F)C2CC2)cc1OC(F)F.O=S=O.

What is the InChIKey of 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The InChIKey is HDZLKMSZZZHRMD-ZWTJRFKKSA-N. The full InChI is InChI=1S/C26H33ClF5N5O3.O2S/c1-3-37-22(20(27)21(36-37)23(38)34-13-25(39)8-6-14(2)7-9-25)16-12-33-19(10-18(16)40-24(28)29)35-17(15-4-5-15)11-26(30,31)32;1-3-2/h10,12,14-15,17,24,39H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38);/t14?,17-,25?;/m0./s1.

What are the key properties of 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide has a molecular weight of 658.09 g/mol, XLogP of 5.36, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[6-[[(1S)-1-cyclopropyl-3,3,3-trifluoropropyl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 158451096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).