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

C20H22FN7O — CID 11269450

IUPAC7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OC(C)C)nc12
InChIInChI=1S/C20H22FN7O/c1-4-6-14-16(24-12-28-18(14)25-20(26-28)29-13(2)3)11-27-10-9-23-19(27)17-15(21)7-5-8-22-17/h5,7-10,12-13H,4,6,11H2,1-3H3
InChIKeyDQSXIULXVLEYIP-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.31
Rot. Bonds7

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

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11269450) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11269450
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OC(C)C)nc12
InChIInChI=1S/C20H22FN7O/c1-4-6-14-16(24-12-28-18(14)25-20(26-28)29-13(2)3)11-27-10-9-23-19(27)17-15(21)7-5-8-22-17/h5,7-10,12-13H,4,6,11H2,1-3H3
InChIKeyDQSXIULXVLEYIP-UHFFFAOYSA-N
XLogP3.31
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.31
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-propan-2-yloxy-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-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11269450) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(OC(C)C)nc12.
What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is DQSXIULXVLEYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-4-6-14-16(24-12-28-18(14)25-20(26-28)29-13(2)3)11-27-10-9-23-19(27)17-15(21)7-5-8-22-17/h5,7-10,12-13H,4,6,11H2,1-3H3.
What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 395.44 g/mol, XLogP of 3.31, 7 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-propan-2-yloxy-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11269450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).