N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide

C36H32F5N5O4 — CID 25256150

IUPACN-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc(OC(F)F)cc4)CC2)n3C)nc1
InChIInChI=1S/C36H32F5N5O4/c1-43(33(47)24-5-7-26(8-6-24)36(39,40)41)27-9-14-32(42-21-27)49-29-12-13-30-25(19-29)20-31(44(30)2)34(48)46-17-15-45(16-18-46)22-23-3-10-28(11-4-23)50-35(37)38/h3-14,19-21,35H,15-18,22H2,1-2H3
InChIKeyUBBWYZSITCQSJO-UHFFFAOYSA-N
MW693.67 g/mol
LogP7.22
Rot. Bonds9

About N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide

N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 25256150) has the molecular formula C36H32F5N5O4 and a molecular weight of 693.67 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID25256150
Molecular FormulaC36H32F5N5O4
Molecular Weight693.67 g/mol
Exact Mass693.24
IUPAC NameN-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc(OC(F)F)cc4)CC2)n3C)nc1
InChIInChI=1S/C36H32F5N5O4/c1-43(33(47)24-5-7-26(8-6-24)36(39,40)41)27-9-14-32(42-21-27)49-29-12-13-30-25(19-29)20-31(44(30)2)34(48)46-17-15-45(16-18-46)22-23-3-10-28(11-4-23)50-35(37)38/h3-14,19-21,35H,15-18,22H2,1-2H3
InChIKeyUBBWYZSITCQSJO-UHFFFAOYSA-N
XLogP7.22
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.67
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-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-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide (CID 25256150) is N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc(OC(F)F)cc4)CC2)n3C)nc1.
What is the InChIKey of N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is UBBWYZSITCQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F5N5O4/c1-43(33(47)24-5-7-26(8-6-24)36(39,40)41)27-9-14-32(42-21-27)49-29-12-13-30-25(19-29)20-31(44(30)2)34(48)46-17-15-45(16-18-46)22-23-3-10-28(11-4-23)50-35(37)38/h3-14,19-21,35H,15-18,22H2,1-2H3.
What are the key properties of N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 693.67 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 25256150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).