methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate

C19H18FN7O2 — CID 11188620

IUPACmethyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(=O)OC)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11-27-17(12)24-16(25-27)19(28)29-2)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyMYLNFBPCEOIJTN-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.31
Rot. Bonds6

About methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate

methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate (PubChem CID 11188620) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate
PubChem CID11188620
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Namemethyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(=O)OC)nc12
InChIInChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11-27-17(12)24-16(25-27)19(28)29-2)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyMYLNFBPCEOIJTN-UHFFFAOYSA-N
XLogP2.31
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate (CID 11188620) is methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C(=O)OC)nc12.
What is the InChIKey of methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate?
The InChIKey is MYLNFBPCEOIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-3-5-12-14(23-11-27-17(12)24-16(25-27)19(28)29-2)10-26-9-8-22-18(26)15-13(20)6-4-7-21-15/h4,6-9,11H,3,5,10H2,1-2H3.
What are the key properties of methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate?
methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate has a molecular weight of 395.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 11188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).