N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide

C23H26FN7OS — CID 169109142

IUPACN-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC=Cc1ncn(CCNC(=O)C2CCCN2)c1/C=C(\C)Nc1ncc(-c2ccncc2F)s1
InChIInChI=1S/C23H26FN7OS/c1-3-18-20(31(14-29-18)10-9-27-22(32)19-5-4-7-26-19)11-15(2)30-23-28-13-21(33-23)16-6-8-25-12-17(16)24/h3,6,8,11-14,19,26H,1,4-5,7,9-10H2,2H3,(H,27,32)(H,28,30)/b15-11+
InChIKeyMNAOAVLBYGPQOF-RVDMUPIBSA-N
MW467.57 g/mol
LogP3.52
Rot. Bonds9

About N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide

N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 169109142) has the molecular formula C23H26FN7OS and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID169109142
Molecular FormulaC23H26FN7OS
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC NameN-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESC=Cc1ncn(CCNC(=O)C2CCCN2)c1/C=C(\C)Nc1ncc(-c2ccncc2F)s1
InChIInChI=1S/C23H26FN7OS/c1-3-18-20(31(14-29-18)10-9-27-22(32)19-5-4-7-26-19)11-15(2)30-23-28-13-21(33-23)16-6-8-25-12-17(16)24/h3,6,8,11-14,19,26H,1,4-5,7,9-10H2,2H3,(H,27,32)(H,28,30)/b15-11+
InChIKeyMNAOAVLBYGPQOF-RVDMUPIBSA-N
XLogP3.52
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 169109142) is N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide is C=Cc1ncn(CCNC(=O)C2CCCN2)c1/C=C(\C)Nc1ncc(-c2ccncc2F)s1.
What is the InChIKey of N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MNAOAVLBYGPQOF-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H26FN7OS/c1-3-18-20(31(14-29-18)10-9-27-22(32)19-5-4-7-26-19)11-15(2)30-23-28-13-21(33-23)16-6-8-25-12-17(16)24/h3,6,8,11-14,19,26H,1,4-5,7,9-10H2,2H3,(H,27,32)(H,28,30)/b15-11+.
What are the key properties of N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 169109142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).