N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide

C29H26F6N4O4 — CID 88910025

IUPACN-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C29H26F6N4O4/c1-41-22-6-5-18(16-23(22)43-13-10-38-8-11-42-12-9-38)25-26(39-7-3-2-4-24(39)36-25)37-27(40)19-14-20(28(30,31)32)17-21(15-19)29(33,34)35/h2-7,14-17H,8-13H2,1H3,(H,37,40)
InChIKeyOBTUYGFBDGRKEN-UHFFFAOYSA-N
MW608.54 g/mol
LogP6.01
Rot. Bonds8

About N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 88910025) has the molecular formula C29H26F6N4O4 and a molecular weight of 608.54 g/mol. Its IUPAC name is N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID88910025
Molecular FormulaC29H26F6N4O4
Molecular Weight608.54 g/mol
Exact Mass608.19
IUPAC NameN-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C29H26F6N4O4/c1-41-22-6-5-18(16-23(22)43-13-10-38-8-11-42-12-9-38)25-26(39-7-3-2-4-24(39)36-25)37-27(40)19-14-20(28(30,31)32)17-21(15-19)29(33,34)35/h2-7,14-17H,8-13H2,1H3,(H,37,40)
InChIKeyOBTUYGFBDGRKEN-UHFFFAOYSA-N
XLogP6.01
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide (CID 88910025) is N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide is COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1.
What is the InChIKey of N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is OBTUYGFBDGRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O4/c1-41-22-6-5-18(16-23(22)43-13-10-38-8-11-42-12-9-38)25-26(39-7-3-2-4-24(39)36-25)37-27(40)19-14-20(28(30,31)32)17-21(15-19)29(33,34)35/h2-7,14-17H,8-13H2,1H3,(H,37,40).
What are the key properties of N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 608.54 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 88910025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).