N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride

C37H34ClF6N5O4 — CID 42603344

IUPACN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4F)cn3)cc21
InChIInChI=1S/C37H33F6N5O4.ClH/c1-46-32-18-28(52-34-11-6-26(21-44-34)45-35(49)30-10-5-25(17-31(30)40)37(41,42)43)9-4-24(32)16-33(46)36(50)48-14-12-47(13-15-48)22-23-2-7-27(8-3-23)51-29(19-38)20-39;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,45,49);1H
InChIKeyPEJFPCLCVGCGEA-UHFFFAOYSA-N
MW762.15 g/mol
LogP7.84
Rot. Bonds11

About N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride

N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 42603344) has the molecular formula C37H34ClF6N5O4 and a molecular weight of 762.15 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID42603344
Molecular FormulaC37H34ClF6N5O4
Molecular Weight762.15 g/mol
Exact Mass761.22
IUPAC NameN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4F)cn3)cc21
InChIInChI=1S/C37H33F6N5O4.ClH/c1-46-32-18-28(52-34-11-6-26(21-44-34)45-35(49)30-10-5-25(17-31(30)40)37(41,42)43)9-4-24(32)16-33(46)36(50)48-14-12-47(13-15-48)22-23-2-7-27(8-3-23)51-29(19-38)20-39;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,45,49);1H
InChIKeyPEJFPCLCVGCGEA-UHFFFAOYSA-N
XLogP7.84
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.15
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride (CID 42603344) is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride is Cl.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4F)cn3)cc21.
What is the InChIKey of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is PEJFPCLCVGCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F6N5O4.ClH/c1-46-32-18-28(52-34-11-6-26(21-44-34)45-35(49)30-10-5-25(17-31(30)40)37(41,42)43)9-4-24(32)16-33(46)36(50)48-14-12-47(13-15-48)22-23-2-7-27(8-3-23)51-29(19-38)20-39;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,45,49);1H.
What are the key properties of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride?
N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 762.15 g/mol, XLogP of 7.84, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 42603344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).