N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide

C26H26F4N6O2 — CID 146456086

IUPACN-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILES[H]/N=C1\OCCN1Cc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)nc(-c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C26H26F4N6O2/c1-14-9-17(5-6-19(14)27)22(16-3-4-16)33-24(37)21-11-15(12-36-7-8-38-25(36)31)10-20(32-21)18-13-35(2)34-23(18)26(28,29)30/h5-6,9-11,13,16,22,31H,3-4,7-8,12H2,1-2H3,(H,33,37)/b31-25-/t22-/m0/s1
InChIKeyJFCPGTOXKDIFFJ-NGNZEAJZSA-N
MW530.53 g/mol
LogP4.60
Rot. Bonds7

About N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 146456086) has the molecular formula C26H26F4N6O2 and a molecular weight of 530.53 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID146456086
Molecular FormulaC26H26F4N6O2
Molecular Weight530.53 g/mol
Exact Mass530.21
IUPAC NameN-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILES[H]/N=C1\OCCN1Cc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)nc(-c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C26H26F4N6O2/c1-14-9-17(5-6-19(14)27)22(16-3-4-16)33-24(37)21-11-15(12-36-7-8-38-25(36)31)10-20(32-21)18-13-35(2)34-23(18)26(28,29)30/h5-6,9-11,13,16,22,31H,3-4,7-8,12H2,1-2H3,(H,33,37)/b31-25-/t22-/m0/s1
InChIKeyJFCPGTOXKDIFFJ-NGNZEAJZSA-N
XLogP4.60
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 146456086) is N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is [H]/N=C1\OCCN1Cc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)nc(-c2cn(C)nc2C(F)(F)F)c1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is JFCPGTOXKDIFFJ-NGNZEAJZSA-N. The full InChI is InChI=1S/C26H26F4N6O2/c1-14-9-17(5-6-19(14)27)22(16-3-4-16)33-24(37)21-11-15(12-36-7-8-38-25(36)31)10-20(32-21)18-13-35(2)34-23(18)26(28,29)30/h5-6,9-11,13,16,22,31H,3-4,7-8,12H2,1-2H3,(H,33,37)/b31-25-/t22-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 530.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-4-[(2-imino-1,3-oxazolidin-3-yl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146456086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).