5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C25H20F3N5O2S — CID 171344774

IUPAC5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N5O2S/c1-14(15-4-3-5-18(8-15)25(26,27)28)35-20-10-21(36-23(20)24(29)34)19-12-30-22-9-16(6-7-33(19)22)17-11-31-32(2)13-17/h3-14H,1-2H3,(H2,29,34)
InChIKeyWZIPITWTOOQGAU-UHFFFAOYSA-N
MW511.53 g/mol
LogP5.72
Rot. Bonds6

About 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 171344774) has the molecular formula C25H20F3N5O2S and a molecular weight of 511.53 g/mol. Its IUPAC name is 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID171344774
Molecular FormulaC25H20F3N5O2S
Molecular Weight511.53 g/mol
Exact Mass511.13
IUPAC Name5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N5O2S/c1-14(15-4-3-5-18(8-15)25(26,27)28)35-20-10-21(36-23(20)24(29)34)19-12-30-22-9-16(6-7-33(19)22)17-11-31-32(2)13-17/h3-14H,1-2H3,(H2,29,34)
InChIKeyWZIPITWTOOQGAU-UHFFFAOYSA-N
XLogP5.72
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mbm-55
CID 137636872
(R)-5-(5-(1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide
CID 49862711
(R)-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide
CID 46911118
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11495629
(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethoxy)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11656480
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 25055104
(R)-3-(1-(2-(hydroxymethyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45269487
3-(1-(2-Chlorophenyl)ethoxy)-5-(7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45270331
(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45271099
(R)-3-(1-(2-chloro-4-((dimethylamino)methyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45272066
(R)-3-(1-(4-((tert-butylamino)methyl)-2-methylphenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45273767
5-(Imidazo[1,2-a]pyridin-3-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide
CID 45273806

Frequently Asked Questions

What is the IUPAC name of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 171344774) is 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is WZIPITWTOOQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2S/c1-14(15-4-3-5-18(8-15)25(26,27)28)35-20-10-21(36-23(20)24(29)34)19-12-30-22-9-16(6-7-33(19)22)17-11-31-32(2)13-17/h3-14H,1-2H3,(H2,29,34).
What are the key properties of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 511.53 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 171344774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).