N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C28H27F3N6O2 — CID 90456906

IUPACN-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N2CCOCC2)c1
InChIInChI=1S/C28H27F3N6O2/c1-16-4-5-21(33-27(38)19-6-7-32-24(13-19)28(29,30)31)15-22(16)20-12-23(26-17(2)35-36-18(26)3)34-25(14-20)37-8-10-39-11-9-37/h4-7,12-15H,8-11H2,1-3H3,(H,33,38)(H,35,36)
InChIKeyNRIIVZIVGFDQHT-UHFFFAOYSA-N
MW536.56 g/mol
LogP5.57
Rot. Bonds5

About N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 90456906) has the molecular formula C28H27F3N6O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID90456906
Molecular FormulaC28H27F3N6O2
Molecular Weight536.56 g/mol
Exact Mass536.21
IUPAC NameN-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N2CCOCC2)c1
InChIInChI=1S/C28H27F3N6O2/c1-16-4-5-21(33-27(38)19-6-7-32-24(13-19)28(29,30)31)15-22(16)20-12-23(26-17(2)35-36-18(26)3)34-25(14-20)37-8-10-39-11-9-37/h4-7,12-15H,8-11H2,1-3H3,(H,33,38)(H,35,36)
InChIKeyNRIIVZIVGFDQHT-UHFFFAOYSA-N
XLogP5.57
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 90456906) is N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is NRIIVZIVGFDQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2/c1-16-4-5-21(33-27(38)19-6-7-32-24(13-19)28(29,30)31)15-22(16)20-12-23(26-17(2)35-36-18(26)3)34-25(14-20)37-8-10-39-11-9-37/h4-7,12-15H,8-11H2,1-3H3,(H,33,38)(H,35,36).
What are the key properties of N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90456906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).