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

C30H24F4N6O — CID 118411443

IUPACN-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(N)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)c2)nc1
InChIInChI=1S/C30H24F4N6O/c1-17(35)19-8-9-25(36-15-19)20-12-27(28(37-16-20)18-6-4-3-5-7-18)38-29(41)22-13-21(26-10-11-40(2)39-26)23(14-24(22)31)30(32,33)34/h3-17H,35H2,1-2H3,(H,38,41)
InChIKeyNINVBDPTTSNOKI-UHFFFAOYSA-N
MW560.56 g/mol
LogP6.64
Rot. Bonds6

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

N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118411443) has the molecular formula C30H24F4N6O and a molecular weight of 560.56 g/mol. Its IUPAC name is N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118411443
Molecular FormulaC30H24F4N6O
Molecular Weight560.56 g/mol
Exact Mass560.19
IUPAC NameN-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(N)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)c2)nc1
InChIInChI=1S/C30H24F4N6O/c1-17(35)19-8-9-25(36-15-19)20-12-27(28(37-16-20)18-6-4-3-5-7-18)38-29(41)22-13-21(26-10-11-40(2)39-26)23(14-24(22)31)30(32,33)34/h3-17H,35H2,1-2H3,(H,38,41)
InChIKeyNINVBDPTTSNOKI-UHFFFAOYSA-N
XLogP6.64
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.56
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118411443) is N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is CC(N)c1ccc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)c2)nc1.
What is the InChIKey of N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is NINVBDPTTSNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4N6O/c1-17(35)19-8-9-25(36-15-19)20-12-27(28(37-16-20)18-6-4-3-5-7-18)38-29(41)22-13-21(26-10-11-40(2)39-26)23(14-24(22)31)30(32,33)34/h3-17H,35H2,1-2H3,(H,38,41).
What are the key properties of N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 560.56 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1-aminoethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118411443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).