N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C23H20F3N5O3S — CID 44540669

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C23H20F3N5O3S/c24-23(25,26)34-17-4-1-3-15(11-17)19-13-31-6-2-5-18(20(31)28-19)21(32)29-22-27-16(14-35-22)12-30-7-9-33-10-8-30/h1-6,11,13-14H,7-10,12H2,(H,27,29,32)
InChIKeyNQCPQEWRZVZAAV-UHFFFAOYSA-N
MW503.51 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 44540669) has the molecular formula C23H20F3N5O3S and a molecular weight of 503.51 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID44540669
Molecular FormulaC23H20F3N5O3S
Molecular Weight503.51 g/mol
Exact Mass503.12
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C23H20F3N5O3S/c24-23(25,26)34-17-4-1-3-15(11-17)19-13-31-6-2-5-18(20(31)28-19)21(32)29-22-27-16(14-35-22)12-30-7-9-33-10-8-30/h1-6,11,13-14H,7-10,12H2,(H,27,29,32)
InChIKeyNQCPQEWRZVZAAV-UHFFFAOYSA-N
XLogP4.44
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 44540669) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is NQCPQEWRZVZAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3S/c24-23(25,26)34-17-4-1-3-15(11-17)19-13-31-6-2-5-18(20(31)28-19)21(32)29-22-27-16(14-35-22)12-30-7-9-33-10-8-30/h1-6,11,13-14H,7-10,12H2,(H,27,29,32).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 44540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).