5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C18H16FN7O — CID 51855183

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1ccn(C)n1
InChIInChI=1S/C18H16FN7O/c1-11(14-7-8-25(2)24-14)22-17(27)16-9-15(12-3-5-13(19)6-4-12)23-18-20-10-21-26(16)18/h3-11H,1-2H3,(H,22,27)/t11-/m1/s1
InChIKeyULRSNZNVPKKUCS-LLVKDONJSA-N
MW365.37 g/mol
LogP2.15
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 51855183) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID51855183
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1ccn(C)n1
InChIInChI=1S/C18H16FN7O/c1-11(14-7-8-25(2)24-14)22-17(27)16-9-15(12-3-5-13(19)6-4-12)23-18-20-10-21-26(16)18/h3-11H,1-2H3,(H,22,27)/t11-/m1/s1
InChIKeyULRSNZNVPKKUCS-LLVKDONJSA-N
XLogP2.15
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 51855183) is 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12)c1ccn(C)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is ULRSNZNVPKKUCS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-11(14-7-8-25(2)24-14)22-17(27)16-9-15(12-3-5-13(19)6-4-12)23-18-20-10-21-26(16)18/h3-11H,1-2H3,(H,22,27)/t11-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 51855183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).