N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C34H30F3N7O3 — CID 166833822

IUPACN-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1ccc(Cn2cc(Cc3ccc(Nc4nc5ccc(Oc6ccnc(NC(C)=O)c6)cc5n4C)cc3C(F)(F)F)cn2)cc1
InChIInChI=1S/C34H30F3N7O3/c1-21(45)40-32-17-28(12-13-38-32)47-27-10-11-30-31(16-27)43(2)33(42-30)41-25-7-6-24(29(15-25)34(35,36)37)14-23-18-39-44(20-23)19-22-4-8-26(46-3)9-5-22/h4-13,15-18,20H,14,19H2,1-3H3,(H,41,42)(H,38,40,45)
InChIKeyRWLRMMXYVKJRAW-UHFFFAOYSA-N
MW641.65 g/mol
LogP7.33
Rot. Bonds10

About N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 166833822) has the molecular formula C34H30F3N7O3 and a molecular weight of 641.65 g/mol. Its IUPAC name is N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID166833822
Molecular FormulaC34H30F3N7O3
Molecular Weight641.65 g/mol
Exact Mass641.24
IUPAC NameN-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1ccc(Cn2cc(Cc3ccc(Nc4nc5ccc(Oc6ccnc(NC(C)=O)c6)cc5n4C)cc3C(F)(F)F)cn2)cc1
InChIInChI=1S/C34H30F3N7O3/c1-21(45)40-32-17-28(12-13-38-32)47-27-10-11-30-31(16-27)43(2)33(42-30)41-25-7-6-24(29(15-25)34(35,36)37)14-23-18-39-44(20-23)19-22-4-8-26(46-3)9-5-22/h4-13,15-18,20H,14,19H2,1-3H3,(H,41,42)(H,38,40,45)
InChIKeyRWLRMMXYVKJRAW-UHFFFAOYSA-N
XLogP7.33
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 166833822) is N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is COc1ccc(Cn2cc(Cc3ccc(Nc4nc5ccc(Oc6ccnc(NC(C)=O)c6)cc5n4C)cc3C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is RWLRMMXYVKJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N7O3/c1-21(45)40-32-17-28(12-13-38-32)47-27-10-11-30-31(16-27)43(2)33(42-30)41-25-7-6-24(29(15-25)34(35,36)37)14-23-18-39-44(20-23)19-22-4-8-26(46-3)9-5-22/h4-13,15-18,20H,14,19H2,1-3H3,(H,41,42)(H,38,40,45).
What are the key properties of N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 641.65 g/mol, XLogP of 7.33, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 166833822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).