3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C22H24F3N5O4 — CID 146275468

IUPAC3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C22H24F3N5O4/c1-32-18-10-15(12-27-20(18)21(31)28-14-22(23,24)25)17-13-26-19-11-16(2-3-30(17)19)34-9-6-29-4-7-33-8-5-29/h2-3,10-13H,4-9,14H2,1H3,(H,28,31)
InChIKeyOASYTCDRFWTGNE-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.41
Rot. Bonds8

About 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 146275468) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID146275468
Molecular FormulaC22H24F3N5O4
Molecular Weight479.46 g/mol
Exact Mass479.18
IUPAC Name3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cnc1C(=O)NCC(F)(F)F
InChIInChI=1S/C22H24F3N5O4/c1-32-18-10-15(12-27-20(18)21(31)28-14-22(23,24)25)17-13-26-19-11-16(2-3-30(17)19)34-9-6-29-4-7-33-8-5-29/h2-3,10-13H,4-9,14H2,1H3,(H,28,31)
InChIKeyOASYTCDRFWTGNE-UHFFFAOYSA-N
XLogP2.41
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 146275468) is 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cnc1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is OASYTCDRFWTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O4/c1-32-18-10-15(12-27-20(18)21(31)28-14-22(23,24)25)17-13-26-19-11-16(2-3-30(17)19)34-9-6-29-4-7-33-8-5-29/h2-3,10-13H,4-9,14H2,1H3,(H,28,31).
What are the key properties of 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146275468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).