6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide

C22H25FN6O — CID 155748043

IUPAC6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(F)c(C4CC4)c3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H25FN6O/c1-14(2)29(13-24)21(25)19-4-3-5-20(26-19)28-11-10-27(22(28)30)16-8-9-18(23)17(12-16)15-6-7-15/h3-5,8-9,12-15,24-25H,6-7,10-11H2,1-2H3/b24-13+,25-21-
InChIKeyVHDPFPBMSQJOQU-FZYNJZOTSA-N
MW408.48 g/mol
LogP4.19
Rot. Bonds6

About 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide

6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide (PubChem CID 155748043) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
PubChem CID155748043
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(N2CCN(c3ccc(F)c(C4CC4)c3)C2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C22H25FN6O/c1-14(2)29(13-24)21(25)19-4-3-5-20(26-19)28-11-10-27(22(28)30)16-8-9-18(23)17(12-16)15-6-7-15/h3-5,8-9,12-15,24-25H,6-7,10-11H2,1-2H3/b24-13+,25-21-
InChIKeyVHDPFPBMSQJOQU-FZYNJZOTSA-N
XLogP4.19
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The IUPAC name of 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide (CID 155748043) is 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The canonical SMILES for 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide is [H]/N=C(/c1cccc(N2CCN(c3ccc(F)c(C4CC4)c3)C2=O)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The InChIKey is VHDPFPBMSQJOQU-FZYNJZOTSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-14(2)29(13-24)21(25)19-4-3-5-20(26-19)28-11-10-27(22(28)30)16-8-9-18(23)17(12-16)15-6-7-15/h3-5,8-9,12-15,24-25H,6-7,10-11H2,1-2H3/b24-13+,25-21-.
What are the key properties of 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide has a molecular weight of 408.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-cyclopropyl-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 155748043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).