N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide

C38H35F6N5O5 — CID 86646553

IUPACN-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide
SMILESCOCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)c(C)c4)cn3)cc21
InChIInChI=1S/C38H35F6N5O5/c1-24-17-27(6-11-31(24)38(42,43)44)35(50)46-28-7-12-34(45-20-28)54-30-10-5-26-18-33(49(23-52-2)32(26)19-30)36(51)48-15-13-47(14-16-48)21-25-3-8-29(9-4-25)53-22-37(39,40)41/h3-12,17-20H,13-16,21-23H2,1-2H3,(H,46,50)
InChIKeyHBPPAWLPEYNOPM-UHFFFAOYSA-N
MW755.72 g/mol
LogP7.91
Rot. Bonds11

About N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide

N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide (PubChem CID 86646553) has the molecular formula C38H35F6N5O5 and a molecular weight of 755.72 g/mol. Its IUPAC name is N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide
PubChem CID86646553
Molecular FormulaC38H35F6N5O5
Molecular Weight755.72 g/mol
Exact Mass755.25
IUPAC NameN-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide
SMILESCOCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)c(C)c4)cn3)cc21
InChIInChI=1S/C38H35F6N5O5/c1-24-17-27(6-11-31(24)38(42,43)44)35(50)46-28-7-12-34(45-20-28)54-30-10-5-26-18-33(49(23-52-2)32(26)19-30)36(51)48-15-13-47(14-16-48)21-25-3-8-29(9-4-25)53-22-37(39,40)41/h3-12,17-20H,13-16,21-23H2,1-2H3,(H,46,50)
InChIKeyHBPPAWLPEYNOPM-UHFFFAOYSA-N
XLogP7.91
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.72
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide (CID 86646553) is N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide is COCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)c(C)c4)cn3)cc21.
What is the InChIKey of N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is HBPPAWLPEYNOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35F6N5O5/c1-24-17-27(6-11-31(24)38(42,43)44)35(50)46-28-7-12-34(45-20-28)54-30-10-5-26-18-33(49(23-52-2)32(26)19-30)36(51)48-15-13-47(14-16-48)21-25-3-8-29(9-4-25)53-22-37(39,40)41/h3-12,17-20H,13-16,21-23H2,1-2H3,(H,46,50).
What are the key properties of N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide?
N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 755.72 g/mol, XLogP of 7.91, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(methoxymethyl)-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-3-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86646553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).