1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol

C19H22FN7O — CID 142996658

IUPAC1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol
SMILESCCCc1c(Cn2ccnc2C2=NC=CCC2F)ncn2c(C(C)O)nnc12
InChIInChI=1S/C19H22FN7O/c1-3-5-13-15(23-11-27-17(12(2)28)24-25-18(13)27)10-26-9-8-22-19(26)16-14(20)6-4-7-21-16/h4,7-9,11-12,14,28H,3,5-6,10H2,1-2H3
InChIKeyCASBAUVDQJRZPM-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.42
Rot. Bonds6

About 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol

1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol (PubChem CID 142996658) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol
PubChem CID142996658
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC Name1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol
SMILESCCCc1c(Cn2ccnc2C2=NC=CCC2F)ncn2c(C(C)O)nnc12
InChIInChI=1S/C19H22FN7O/c1-3-5-13-15(23-11-27-17(12(2)28)24-25-18(13)27)10-26-9-8-22-19(26)16-14(20)6-4-7-21-16/h4,7-9,11-12,14,28H,3,5-6,10H2,1-2H3
InChIKeyCASBAUVDQJRZPM-UHFFFAOYSA-N
XLogP2.42
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol?
The IUPAC name of 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol (CID 142996658) is 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol?
The canonical SMILES for 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol is CCCc1c(Cn2ccnc2C2=NC=CCC2F)ncn2c(C(C)O)nnc12.
What is the InChIKey of 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol?
The InChIKey is CASBAUVDQJRZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-3-5-13-15(23-11-27-17(12(2)28)24-25-18(13)27)10-26-9-8-22-19(26)16-14(20)6-4-7-21-16/h4,7-9,11-12,14,28H,3,5-6,10H2,1-2H3.
What are the key properties of 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol?
1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol has a molecular weight of 383.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(3-fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 142996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).