N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

C29H19F4N5O2 — CID 118392489

IUPACN-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c2)cc1
InChIInChI=1S/C29H19F4N5O2/c30-23-14-22(29(31,32)33)20(24-10-11-36-38-24)13-21(23)28(40)37-25-12-19(16-6-8-18(9-7-16)27(34)39)15-35-26(25)17-4-2-1-3-5-17/h1-15H,(H2,34,39)(H,36,38)(H,37,40)
InChIKeyPNZOEIDFOXOBKR-UHFFFAOYSA-N
MW545.50 g/mol
LogP6.31
Rot. Bonds6

About N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392489) has the molecular formula C29H19F4N5O2 and a molecular weight of 545.50 g/mol. Its IUPAC name is N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392489
Molecular FormulaC29H19F4N5O2
Molecular Weight545.50 g/mol
Exact Mass545.15
IUPAC NameN-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c2)cc1
InChIInChI=1S/C29H19F4N5O2/c30-23-14-22(29(31,32)33)20(24-10-11-36-38-24)13-21(23)28(40)37-25-12-19(16-6-8-18(9-7-16)27(34)39)15-35-26(25)17-4-2-1-3-5-17/h1-15H,(H2,34,39)(H,36,38)(H,37,40)
InChIKeyPNZOEIDFOXOBKR-UHFFFAOYSA-N
XLogP6.31
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.50
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118392489) is N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c2)cc1.
What is the InChIKey of N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PNZOEIDFOXOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F4N5O2/c30-23-14-22(29(31,32)33)20(24-10-11-36-38-24)13-21(23)28(40)37-25-12-19(16-6-8-18(9-7-16)27(34)39)15-35-26(25)17-4-2-1-3-5-17/h1-15H,(H2,34,39)(H,36,38)(H,37,40).
What are the key properties of N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 545.50 g/mol, XLogP of 6.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-carbamoylphenyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).