N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

C25H27FN6O4 — CID 86270039

IUPACN-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCc1c(Oc2ccnc(-c3cnn(C)c3)c2)ccc(NC(=O)N2CCN(C3CCOCC3)C2=O)c1F
InChIInChI=1S/C25H27FN6O4/c1-16-22(36-19-5-8-27-21(13-19)17-14-28-30(2)15-17)4-3-20(23(16)26)29-24(33)32-10-9-31(25(32)34)18-6-11-35-12-7-18/h3-5,8,13-15,18H,6-7,9-12H2,1-2H3,(H,29,33)
InChIKeyORCMMIBGBVELJM-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.17
Rot. Bonds5

About N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 86270039) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
PubChem CID86270039
Molecular FormulaC25H27FN6O4
Molecular Weight494.53 g/mol
Exact Mass494.21
IUPAC NameN-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCc1c(Oc2ccnc(-c3cnn(C)c3)c2)ccc(NC(=O)N2CCN(C3CCOCC3)C2=O)c1F
InChIInChI=1S/C25H27FN6O4/c1-16-22(36-19-5-8-27-21(13-19)17-14-28-30(2)15-17)4-3-20(23(16)26)29-24(33)32-10-9-31(25(32)34)18-6-11-35-12-7-18/h3-5,8,13-15,18H,6-7,9-12H2,1-2H3,(H,29,33)
InChIKeyORCMMIBGBVELJM-UHFFFAOYSA-N
XLogP4.17
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (CID 86270039) is N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is Cc1c(Oc2ccnc(-c3cnn(C)c3)c2)ccc(NC(=O)N2CCN(C3CCOCC3)C2=O)c1F.
What is the InChIKey of N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is ORCMMIBGBVELJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-16-22(36-19-5-8-27-21(13-19)17-14-28-30(2)15-17)4-3-20(23(16)26)29-24(33)32-10-9-31(25(32)34)18-6-11-35-12-7-18/h3-5,8,13-15,18H,6-7,9-12H2,1-2H3,(H,29,33).
What are the key properties of N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86270039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).