N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

C25H23F2N5O2 — CID 141482475

IUPACN-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C25H23F2N5O2/c1-16(34-23-6-7-28-24(12-23)31-22-14-30-32(2)15-22)18-4-3-5-19(10-18)25(33)29-13-17-8-20(26)11-21(27)9-17/h3-12,14-16H,13H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyGZPXCAXKCAUWRH-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.91
Rot. Bonds8

About N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482475) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482475
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C25H23F2N5O2/c1-16(34-23-6-7-28-24(12-23)31-22-14-30-32(2)15-22)18-4-3-5-19(10-18)25(33)29-13-17-8-20(26)11-21(27)9-17/h3-12,14-16H,13H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyGZPXCAXKCAUWRH-UHFFFAOYSA-N
XLogP4.91
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (CID 141482475) is N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is CC(Oc1ccnc(Nc2cnn(C)c2)c1)c1cccc(C(=O)NCc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is GZPXCAXKCAUWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-16(34-23-6-7-28-24(12-23)31-22-14-30-32(2)15-22)18-4-3-5-19(10-18)25(33)29-13-17-8-20(26)11-21(27)9-17/h3-12,14-16H,13H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).