N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide

C26H25F3N4O5S — CID 154940972

About N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide

N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide (PubChem CID 154940972) has the molecular formula C26H25F3N4O5S and a molecular weight of 562.57 g/mol. Its IUPAC name is N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide
• PubChem CID: 154940972
• Molecular Formula: C26H25F3N4O5S
• Molecular Weight: 562.57 g/mol
• Exact Mass: 562.15
• IUPAC Name: N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)(F)F)ccn2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CC[C@H](O)C4)n3)CC2)c1
• InChI: InChI=1S/C26H25F3N4O5S/c1-16-5-6-19(20-14-17(7-11-30-20)26(27,28)29)21(13-16)38-25(9-10-25)24(35)32-39(36,37)23-4-2-3-22(31-23)33-12-8-18(34)15-33/h2-7,11,13-14,18,34H,8-10,12,15H2,1H3,(H,32,35)/t18-/m0/s1
• InChIKey: VTDFECMWUXXCKR-SFHVURJKSA-N
• XLogP: 3.46
• TPSA: 121.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.57
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide?

The IUPAC name of N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide (CID 154940972) is N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide?

The canonical SMILES for N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)ccn2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CC[C@H](O)C4)n3)CC2)c1.

What is the InChIKey of N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide?

The InChIKey is VTDFECMWUXXCKR-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25F3N4O5S/c1-16-5-6-19(20-14-17(7-11-30-20)26(27,28)29)21(13-16)38-25(9-10-25)24(35)32-39(36,37)23-4-2-3-22(31-23)33-12-8-18(34)15-33/h2-7,11,13-14,18,34H,8-10,12,15H2,1H3,(H,32,35)/t18-/m0/s1.

What are the key properties of N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide?

N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide has a molecular weight of 562.57 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 154940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).