2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C43H29F4N5O — CID 68812123

IUPAC2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
InChIInChI=1S/C43H29F4N5O/c44-38-24-29(16-22-37(38)41(53)50-36-20-18-35(19-21-36)43(45,46)47)39-26-48-40-23-17-30(27-51(39)40)31-25-49-52(28-31)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H,(H,50,53)
InChIKeyQCRKSZHQMIDRJE-UHFFFAOYSA-N
MW707.73 g/mol
LogP10.12
Rot. Bonds8

About 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 68812123) has the molecular formula C43H29F4N5O and a molecular weight of 707.73 g/mol. Its IUPAC name is 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID68812123
Molecular FormulaC43H29F4N5O
Molecular Weight707.73 g/mol
Exact Mass707.23
IUPAC Name2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
InChIInChI=1S/C43H29F4N5O/c44-38-24-29(16-22-37(38)41(53)50-36-20-18-35(19-21-36)43(45,46)47)39-26-48-40-23-17-30(27-51(39)40)31-25-49-52(28-31)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H,(H,50,53)
InChIKeyQCRKSZHQMIDRJE-UHFFFAOYSA-N
XLogP10.12
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.73
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 68812123) is 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F.
What is the InChIKey of 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is QCRKSZHQMIDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29F4N5O/c44-38-24-29(16-22-37(38)41(53)50-36-20-18-35(19-21-36)43(45,46)47)39-26-48-40-23-17-30(27-51(39)40)31-25-49-52(28-31)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H,(H,50,53).
What are the key properties of 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 707.73 g/mol, XLogP of 10.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(trifluoromethyl)phenyl]-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 68812123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).