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

C31H35F3N4O4 — CID 143288225

IUPACethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCC.COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C29H29F3N4O4.C2H6/c1-19-15-21(17-22(16-19)29(30,31)32)28(37)34-27-26(33-25-5-3-4-8-36(25)27)20-6-7-23(38-2)24(18-20)40-14-11-35-9-12-39-13-10-35;1-2/h3-8,15-18H,9-14H2,1-2H3,(H,34,37);1-2H3
InChIKeyCHATWMZKBXIXBW-UHFFFAOYSA-N
MW584.64 g/mol
LogP6.33
Rot. Bonds8

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

ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 143288225) has the molecular formula C31H35F3N4O4 and a molecular weight of 584.64 g/mol. Its IUPAC name is ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Nameethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
PubChem CID143288225
Molecular FormulaC31H35F3N4O4
Molecular Weight584.64 g/mol
Exact Mass584.26
IUPAC Nameethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCC.COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1
InChIInChI=1S/C29H29F3N4O4.C2H6/c1-19-15-21(17-22(16-19)29(30,31)32)28(37)34-27-26(33-25-5-3-4-8-36(25)27)20-6-7-23(38-2)24(18-20)40-14-11-35-9-12-39-13-10-35;1-2/h3-8,15-18H,9-14H2,1-2H3,(H,34,37);1-2H3
InChIKeyCHATWMZKBXIXBW-UHFFFAOYSA-N
XLogP6.33
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 6419753
Bay 61-3606
CID 10200390
UA6B2TI4MO
CID 146273261
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
(S)-N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethylamino)-2-hydroxypropoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571812
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
BAY 61-3606 dihydrochloride
CID 11784504
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide (CID 143288225) is ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide is CC.COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1.
What is the InChIKey of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is CHATWMZKBXIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O4.C2H6/c1-19-15-21(17-22(16-19)29(30,31)32)28(37)34-27-26(33-25-5-3-4-8-36(25)27)20-6-7-23(38-2)24(18-20)40-14-11-35-9-12-39-13-10-35;1-2/h3-8,15-18H,9-14H2,1-2H3,(H,34,37);1-2H3.
What are the key properties of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 584.64 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 143288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).