N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide

C27H26F3N5O — CID 139425936

IUPACN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide
SMILESCC(CNC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H26F3N5O/c1-18(19-8-11-23(12-9-19)27(28,29)30)14-32-25(20-6-4-3-5-7-20)26(36)34-24-13-10-21(15-31-24)22-16-33-35(2)17-22/h3-13,15-18,25,32H,14H2,1-2H3,(H,31,34,36)
InChIKeyGXPVDDBWRIDVII-UHFFFAOYSA-N
MW493.53 g/mol
LogP5.57
Rot. Bonds8

About N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide

N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide (PubChem CID 139425936) has the molecular formula C27H26F3N5O and a molecular weight of 493.53 g/mol. Its IUPAC name is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide.

Molecular Properties

Compound NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide
PubChem CID139425936
Molecular FormulaC27H26F3N5O
Molecular Weight493.53 g/mol
Exact Mass493.21
IUPAC NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide
SMILESCC(CNC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H26F3N5O/c1-18(19-8-11-23(12-9-19)27(28,29)30)14-32-25(20-6-4-3-5-7-20)26(36)34-24-13-10-21(15-31-24)22-16-33-35(2)17-22/h3-13,15-18,25,32H,14H2,1-2H3,(H,31,34,36)
InChIKeyGXPVDDBWRIDVII-UHFFFAOYSA-N
XLogP5.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide?
The IUPAC name of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide (CID 139425936) is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide.
What is the SMILES notation for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide?
The canonical SMILES for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide is CC(CNC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide?
The InChIKey is GXPVDDBWRIDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O/c1-18(19-8-11-23(12-9-19)27(28,29)30)14-32-25(20-6-4-3-5-7-20)26(36)34-24-13-10-21(15-31-24)22-16-33-35(2)17-22/h3-13,15-18,25,32H,14H2,1-2H3,(H,31,34,36).
What are the key properties of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide?
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide has a molecular weight of 493.53 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]propylamino]acetamide is sourced from PubChem (CID 139425936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).