(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C23H19F3N6O4S — CID 122686057

About (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122686057) has the molecular formula C23H19F3N6O4S and a molecular weight of 532.50 g/mol. Its IUPAC name is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 122686057
• Molecular Formula: C23H19F3N6O4S
• Molecular Weight: 532.50 g/mol
• Exact Mass: 532.11
• IUPAC Name: (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
• InChI: InChI=1S/C23H19F3N6O4S/c24-23(25,26)16-11-29-21(30-12-16)14-3-6-28-17(8-14)13-31-22(33)18-2-1-7-32(18)37(34,35)20-9-15-10-27-5-4-19(15)36-20/h3-6,8-12,18H,1-2,7,13H2,(H,31,33)/t18-/m0/s1
• InChIKey: PKBGHJJBGDCWEC-SFHVURJKSA-N
• XLogP: 3.17
• TPSA: 131.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.50
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 122686057) is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1.

What is the InChIKey of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is PKBGHJJBGDCWEC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19F3N6O4S/c24-23(25,26)16-11-29-21(30-12-16)14-3-6-28-17(8-14)13-31-22(33)18-2-1-7-32(18)37(34,35)20-9-15-10-27-5-4-19(15)36-20/h3-6,8-12,18H,1-2,7,13H2,(H,31,33)/t18-/m0/s1.

What are the key properties of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 532.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122686057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).