[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

C24H25FN4O3 — CID 121347130

IUPAC[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCc1nc([C@H](CC2CC2)NC(=O)Oc2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1
InChIInChI=1S/C24H25FN4O3/c1-14-26-23(29-32-14)21(13-15-2-3-15)28-24(30)31-22-11-10-19(17-6-7-17)20(27-22)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,21H,2-3,6-7,12-13H2,1H3,(H,28,30)/t21-/m0/s1
InChIKeyCMPLWXRURQUDEB-NRFANRHFSA-N
MW436.49 g/mol
LogP5.01
Rot. Bonds8

About [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (PubChem CID 121347130) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
PubChem CID121347130
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCc1nc([C@H](CC2CC2)NC(=O)Oc2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1
InChIInChI=1S/C24H25FN4O3/c1-14-26-23(29-32-14)21(13-15-2-3-15)28-24(30)31-22-11-10-19(17-6-7-17)20(27-22)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,21H,2-3,6-7,12-13H2,1H3,(H,28,30)/t21-/m0/s1
InChIKeyCMPLWXRURQUDEB-NRFANRHFSA-N
XLogP5.01
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The IUPAC name of [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (CID 121347130) is [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is Cc1nc([C@H](CC2CC2)NC(=O)Oc2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1.
What is the InChIKey of [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The InChIKey is CMPLWXRURQUDEB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-14-26-23(29-32-14)21(13-15-2-3-15)28-24(30)31-22-11-10-19(17-6-7-17)20(27-22)12-16-4-8-18(25)9-5-16/h4-5,8-11,15,17,21H,2-3,6-7,12-13H2,1H3,(H,28,30)/t21-/m0/s1.
What are the key properties of [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate has a molecular weight of 436.49 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 121347130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).