2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

C19H18FN5O — CID 155047272

IUPAC2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cnc(/C=C2/CCNC[C@H]2F)cn1
InChIInChI=1S/C19H18FN5O/c20-17-10-21-4-3-13(17)7-14-9-24-18(11-23-14)16-2-1-15(8-19(16)26)25-6-5-22-12-25/h1-2,5-9,11-12,17,21,26H,3-4,10H2/b13-7-/t17-/m1/s1
InChIKeyGIAOXSKYTAKYTQ-KYTCBBFDSA-N
MW351.38 g/mol
LogP2.75
Rot. Bonds3

About 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 155047272) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
PubChem CID155047272
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cnc(/C=C2/CCNC[C@H]2F)cn1
InChIInChI=1S/C19H18FN5O/c20-17-10-21-4-3-13(17)7-14-9-24-18(11-23-14)16-2-1-15(8-19(16)26)25-6-5-22-12-25/h1-2,5-9,11-12,17,21,26H,3-4,10H2/b13-7-/t17-/m1/s1
InChIKeyGIAOXSKYTAKYTQ-KYTCBBFDSA-N
XLogP2.75
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368571
2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167306028
2-[5-[(Z)-[(1R,4R)-7,7-difluoro-4-methoxy-1-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368518
2-[5-[(Z)-[(1R,2R,5R)-6,6-difluoro-2-methoxy-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 154676970
5-imidazol-1-yl-2-[3-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazin-6-yl]phenol
CID 162777649
2-[6-[(Z)-[2-fluoro-5-(methylamino)cyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305211
5-imidazol-1-yl-2-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
2-[6-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370110
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
CID 162777617
2-[3-[(Z)-[(1S,4S)-4-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162778036
2-[5-[[(1R,2R,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368224
2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047142

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 155047272) is 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1cnc(/C=C2/CCNC[C@H]2F)cn1.
What is the InChIKey of 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is GIAOXSKYTAKYTQ-KYTCBBFDSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-17-10-21-4-3-13(17)7-14-9-24-18(11-23-14)16-2-1-15(8-19(16)26)25-6-5-22-12-25/h1-2,5-9,11-12,17,21,26H,3-4,10H2/b13-7-/t17-/m1/s1.
What are the key properties of 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 351.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 155047272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).