N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

C22H18FN5O2 — CID 5009484

IUPACN-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)N2)c1ccco1
InChIInChI=1S/C22H18FN5O2/c23-16-10-8-15(9-11-16)18-13-17(14-5-2-1-3-6-14)24-22-26-21(27-28(18)22)25-20(29)19-7-4-12-30-19/h1-12,17-18H,13H2,(H2,24,25,26,27,29)
InChIKeyADNZEQOQYMAIQJ-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.41
Rot. Bonds4

About N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide (PubChem CID 5009484) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
PubChem CID5009484
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)N2)c1ccco1
InChIInChI=1S/C22H18FN5O2/c23-16-10-8-15(9-11-16)18-13-17(14-5-2-1-3-6-14)24-22-26-21(27-28(18)22)25-20(29)19-7-4-12-30-19/h1-12,17-18H,13H2,(H2,24,25,26,27,29)
InChIKeyADNZEQOQYMAIQJ-UHFFFAOYSA-N
XLogP4.41
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide (CID 5009484) is N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide is O=C(Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)N2)c1ccco1.
What is the InChIKey of N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide?
The InChIKey is ADNZEQOQYMAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-16-10-8-15(9-11-16)18-13-17(14-5-2-1-3-6-14)24-22-26-21(27-28(18)22)25-20(29)19-7-4-12-30-19/h1-12,17-18H,13H2,(H2,24,25,26,27,29).
What are the key properties of N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide?
N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5009484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).