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

C21H22FN7O — CID 11407138

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C3CCCO3)nc12
InChIInChI=1S/C21H22FN7O/c1-2-5-14-16(12-28-10-9-24-21(28)18-15(22)6-3-8-23-18)25-13-29-20(14)26-19(27-29)17-7-4-11-30-17/h3,6,8-10,13,17H,2,4-5,7,11-12H2,1H3
InChIKeyYTZNDNOKVZHSGN-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.37
Rot. Bonds6

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11407138) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11407138
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C3CCCO3)nc12
InChIInChI=1S/C21H22FN7O/c1-2-5-14-16(12-28-10-9-24-21(28)18-15(22)6-3-8-23-18)25-13-29-20(14)26-19(27-29)17-7-4-11-30-17/h3,6,8-10,13,17H,2,4-5,7,11-12H2,1H3
InChIKeyYTZNDNOKVZHSGN-UHFFFAOYSA-N
XLogP3.37
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11407138) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C3CCCO3)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is YTZNDNOKVZHSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-2-5-14-16(12-28-10-9-24-21(28)18-15(22)6-3-8-23-18)25-13-29-20(14)26-19(27-29)17-7-4-11-30-17/h3,6,8-10,13,17H,2,4-5,7,11-12H2,1H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 407.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-(oxolan-2-yl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11407138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).