5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile

C25H16FN5O — CID 89432487

IUPAC5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc([C@@]3(O)C[C@H](c4ccc(C#N)cc4F)n4cncc43)c2)c1
InChIInChI=1S/C25H16FN5O/c26-22-7-16(10-27)4-5-21(22)23-9-25(32,24-14-30-15-31(23)24)20-3-1-2-18(8-20)19-6-17(11-28)12-29-13-19/h1-8,12-15,23,32H,9H2/t23-,25+/m1/s1
InChIKeyKWNZLCDNUJTIJL-NOZRDPDXSA-N
MW421.44 g/mol
LogP4.06
Rot. Bonds3

About 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile

5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 89432487) has the molecular formula C25H16FN5O and a molecular weight of 421.44 g/mol. Its IUPAC name is 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile
PubChem CID89432487
Molecular FormulaC25H16FN5O
Molecular Weight421.44 g/mol
Exact Mass421.13
IUPAC Name5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc([C@@]3(O)C[C@H](c4ccc(C#N)cc4F)n4cncc43)c2)c1
InChIInChI=1S/C25H16FN5O/c26-22-7-16(10-27)4-5-21(22)23-9-25(32,24-14-30-15-31(23)24)20-3-1-2-18(8-20)19-6-17(11-28)12-29-13-19/h1-8,12-15,23,32H,9H2/t23-,25+/m1/s1
InChIKeyKWNZLCDNUJTIJL-NOZRDPDXSA-N
XLogP4.06
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2'-Fluoro-5'-[7-(1-hydroxy-1-methylethyl)imidazo[1,2-alpha]pyrimidin-3-yl]biphenyl-2-carbonitrile
CID 9969492
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(3,5-difluoro-phenyl)-pyridine-2-carbonitrile
CID 10138186
4,2-Difluoro-5-[7-(1-hydroxy-1-methylethyl)imidazo[1,2-a]pyrimidin-3-yl]biphenyl-2-carbonitrile
CID 10221973
2-(2-Fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl)phenyl)nicotinonitrile
CID 44409019
4-(2-Fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl)phenyl)nicotinonitrile
CID 44409020
4-[(4-Cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile
CID 44274783
4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-3-pyridin-2-ylethynyl-benzonitrile
CID 44349711
4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-(6-methyl-pyridin-3-yl)-prop-2-ynyl]-2-naphthalen-1-yl-benzonitrile
CID 44459321
4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-2-quinolin-8-yl-benzonitrile
CID 44459800
4-[1-Hydroxy-1-(3-methylimidazol-4-yl)-3-phenylpropyl]-2-(2-methylphenyl)benzonitrile
CID 44274825
6-[(6-Cyano-2''''-trifluoromethyl-biphenyl-3-yl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-nicotinonitrile
CID 44391975
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-2-yl)ethanol
CID 45486465

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile (CID 89432487) is 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc([C@@]3(O)C[C@H](c4ccc(C#N)cc4F)n4cncc43)c2)c1.
What is the InChIKey of 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is KWNZLCDNUJTIJL-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H16FN5O/c26-22-7-16(10-27)4-5-21(22)23-9-25(32,24-14-30-15-31(23)24)20-3-1-2-18(8-20)19-6-17(11-28)12-29-13-19/h1-8,12-15,23,32H,9H2/t23-,25+/m1/s1.
What are the key properties of 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile?
5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 421.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 89432487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).