N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

C28H24F3N5O2 — CID 139465265

IUPACN-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)c3cnccc32)C1
InChIInChI=1S/C28H24F3N5O2/c1-2-25(37)35-14-4-7-22(17-35)36-24-12-13-32-16-23(24)26(34-36)18-8-10-21(11-9-18)33-27(38)19-5-3-6-20(15-19)28(29,30)31/h2-3,5-6,8-13,15-16,22H,1,4,7,14,17H2,(H,33,38)/t22-/m1/s1
InChIKeyIGAYYLCGRTZHSD-JOCHJYFZSA-N
MW519.53 g/mol
LogP5.72
Rot. Bonds5

About N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 139465265) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID139465265
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC NameN-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)c3cnccc32)C1
InChIInChI=1S/C28H24F3N5O2/c1-2-25(37)35-14-4-7-22(17-35)36-24-12-13-32-16-23(24)26(34-36)18-8-10-21(11-9-18)33-27(38)19-5-3-6-20(15-19)28(29,30)31/h2-3,5-6,8-13,15-16,22H,1,4,7,14,17H2,(H,33,38)/t22-/m1/s1
InChIKeyIGAYYLCGRTZHSD-JOCHJYFZSA-N
XLogP5.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 139465265) is N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)c3cnccc32)C1.
What is the InChIKey of N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IGAYYLCGRTZHSD-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-2-25(37)35-14-4-7-22(17-35)36-24-12-13-32-16-23(24)26(34-36)18-8-10-21(11-9-18)33-27(38)19-5-3-6-20(15-19)28(29,30)31/h2-3,5-6,8-13,15-16,22H,1,4,7,14,17H2,(H,33,38)/t22-/m1/s1.
What are the key properties of N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 519.53 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 139465265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).