2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

C27H21F4N5O2 — CID 118411455

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C4CCC(=O)N4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C27H21F4N5O2/c1-36-10-9-22(35-36)17-12-18(20(28)13-19(17)27(29,30)31)26(38)34-23-11-16(21-7-8-24(37)33-21)14-32-25(23)15-5-3-2-4-6-15/h2-6,9-14,21H,7-8H2,1H3,(H,33,37)(H,34,38)
InChIKeyVCFVPHDGOJFGIE-UHFFFAOYSA-N
MW523.49 g/mol
LogP5.51
Rot. Bonds5

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118411455) has the molecular formula C27H21F4N5O2 and a molecular weight of 523.49 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118411455
Molecular FormulaC27H21F4N5O2
Molecular Weight523.49 g/mol
Exact Mass523.16
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C4CCC(=O)N4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C27H21F4N5O2/c1-36-10-9-22(35-36)17-12-18(20(28)13-19(17)27(29,30)31)26(38)34-23-11-16(21-7-8-24(37)33-21)14-32-25(23)15-5-3-2-4-6-15/h2-6,9-14,21H,7-8H2,1H3,(H,33,37)(H,34,38)
InChIKeyVCFVPHDGOJFGIE-UHFFFAOYSA-N
XLogP5.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Safimaltib
CID 134609793
OT-82
CID 118203189
(18F)MK-1312
CID 53316847
c-Met Inhibitor D6808
CID 165437862
2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one
CID 11175501
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
US9862707, Example 5
CID 118394045
CID 155557232
CID 155557232
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118411455) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(C4CCC(=O)N4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VCFVPHDGOJFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N5O2/c1-36-10-9-22(35-36)17-12-18(20(28)13-19(17)27(29,30)31)26(38)34-23-11-16(21-7-8-24(37)33-21)14-32-25(23)15-5-3-2-4-6-15/h2-6,9-14,21H,7-8H2,1H3,(H,33,37)(H,34,38).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 523.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(5-oxopyrrolidin-2-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).