5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C20H18FN5O2 — CID 51855305

IUPAC5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C20H18FN5O2/c1-13(4-9-16-3-2-10-28-16)24-19(27)18-11-17(14-5-7-15(21)8-6-14)25-20-22-12-23-26(18)20/h2-3,5-8,10-13H,4,9H2,1H3,(H,24,27)/t13-/m0/s1
InChIKeyNDOAYVBFTNAVBM-ZDUSSCGKSA-N
MW379.40 g/mol
LogP3.27
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 51855305) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID51855305
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C20H18FN5O2/c1-13(4-9-16-3-2-10-28-16)24-19(27)18-11-17(14-5-7-15(21)8-6-14)25-20-22-12-23-26(18)20/h2-3,5-8,10-13H,4,9H2,1H3,(H,24,27)/t13-/m0/s1
InChIKeyNDOAYVBFTNAVBM-ZDUSSCGKSA-N
XLogP3.27
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 51855305) is 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is C[C@@H](CCc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is NDOAYVBFTNAVBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(4-9-16-3-2-10-28-16)24-19(27)18-11-17(14-5-7-15(21)8-6-14)25-20-22-12-23-26(18)20/h2-3,5-8,10-13H,4,9H2,1H3,(H,24,27)/t13-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 51855305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).