(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide

C24H20F3N5O5S — CID 122686009

IUPAC(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C24H20F3N5O5S/c25-24(26,27)37-18-5-3-15(4-6-18)19-11-17(30-14-31-19)13-29-23(33)20-2-1-9-32(20)38(34,35)22-10-16-12-28-8-7-21(16)36-22/h3-8,10-12,14,20H,1-2,9,13H2,(H,29,33)/t20-/m0/s1
InChIKeyQURHXVHIFBDUFC-FQEVSTJZSA-N
MW547.52 g/mol
LogP3.65
Rot. Bonds7

About (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122686009) has the molecular formula C24H20F3N5O5S and a molecular weight of 547.52 g/mol. Its IUPAC name is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID122686009
Molecular FormulaC24H20F3N5O5S
Molecular Weight547.52 g/mol
Exact Mass547.11
IUPAC Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C24H20F3N5O5S/c25-24(26,27)37-18-5-3-15(4-6-18)19-11-17(30-14-31-19)13-29-23(33)20-2-1-9-32(20)38(34,35)22-10-16-12-28-8-7-21(16)36-22/h3-8,10-12,14,20H,1-2,9,13H2,(H,29,33)/t20-/m0/s1
InChIKeyQURHXVHIFBDUFC-FQEVSTJZSA-N
XLogP3.65
TPSA127.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 122685628
CID 122685628
CID 122685825
CID 122685825
CID 122696010
CID 122696010
CID 122696016
CID 122696016
CID 122696045
CID 122696045
CID 44455389
CID 44455389
CID 91826714
CID 91826714
CID 122685615
CID 122685615
CID 122685621
CID 122685621
CID 122685631
CID 122685631
CID 122685632
CID 122685632
CID 122685633
CID 122685633

Frequently Asked Questions

What is the IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide (CID 122686009) is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QURHXVHIFBDUFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20F3N5O5S/c25-24(26,27)37-18-5-3-15(4-6-18)19-11-17(30-14-31-19)13-29-23(33)20-2-1-9-32(20)38(34,35)22-10-16-12-28-8-7-21(16)36-22/h3-8,10-12,14,20H,1-2,9,13H2,(H,29,33)/t20-/m0/s1.
What are the key properties of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 547.52 g/mol, XLogP of 3.65, 7 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-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122686009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).