3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide

C23H23FN6O3 — CID 155271784

IUPAC3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(-c2noc([C@H](C)NC(=O)c3cc(-c4ccc(F)cc4)nn3C)n2)ccn1
InChIInChI=1S/C23H23FN6O3/c1-13(2)32-20-11-16(9-10-25-20)21-27-23(33-29-21)14(3)26-22(31)19-12-18(28-30(19)4)15-5-7-17(24)8-6-15/h5-14H,1-4H3,(H,26,31)/t14-/m0/s1
InChIKeyZMYDHXYVNCNYEM-AWEZNQCLSA-N
MW450.47 g/mol
LogP3.95
Rot. Bonds7

About 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 155271784) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
PubChem CID155271784
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(-c2noc([C@H](C)NC(=O)c3cc(-c4ccc(F)cc4)nn3C)n2)ccn1
InChIInChI=1S/C23H23FN6O3/c1-13(2)32-20-11-16(9-10-25-20)21-27-23(33-29-21)14(3)26-22(31)19-12-18(28-30(19)4)15-5-7-17(24)8-6-15/h5-14H,1-4H3,(H,26,31)/t14-/m0/s1
InChIKeyZMYDHXYVNCNYEM-AWEZNQCLSA-N
XLogP3.95
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (CID 155271784) is 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is CC(C)Oc1cc(-c2noc([C@H](C)NC(=O)c3cc(-c4ccc(F)cc4)nn3C)n2)ccn1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is ZMYDHXYVNCNYEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-13(2)32-20-11-16(9-10-25-20)21-27-23(33-29-21)14(3)26-22(31)19-12-18(28-30(19)4)15-5-7-17(24)8-6-15/h5-14H,1-4H3,(H,26,31)/t14-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 155271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).