2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

C20H21F3N4O3S — CID 118742535

IUPAC2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4nccs4)CCO3)c2c1
InChIInChI=1S/C18H20N4OS.C2HF3O2/c1-2-14(13-4-5-13)22-12-20-18(15(22)3-1)16-10-21(7-8-23-16)11-17-19-6-9-24-17;3-2(4,5)1(6)7/h1-3,6,9,12-13,16H,4-5,7-8,10-11H2;(H,6,7)
InChIKeyYMHRVUCDFPDLJX-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.88
Rot. Bonds4

About 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 118742535) has the molecular formula C20H21F3N4O3S and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID118742535
Molecular FormulaC20H21F3N4O3S
Molecular Weight454.47 g/mol
Exact Mass454.13
IUPAC Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4nccs4)CCO3)c2c1
InChIInChI=1S/C18H20N4OS.C2HF3O2/c1-2-14(13-4-5-13)22-12-20-18(15(22)3-1)16-10-21(7-8-23-16)11-17-19-6-9-24-17;3-2(4,5)1(6)7/h1-3,6,9,12-13,16H,4-5,7-8,10-11H2;(H,6,7)
InChIKeyYMHRVUCDFPDLJX-UHFFFAOYSA-N
XLogP3.88
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (CID 118742535) is 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4nccs4)CCO3)c2c1.
What is the InChIKey of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is YMHRVUCDFPDLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS.C2HF3O2/c1-2-14(13-4-5-13)22-12-20-18(15(22)3-1)16-10-21(7-8-23-16)11-17-19-6-9-24-17;3-2(4,5)1(6)7/h1-3,6,9,12-13,16H,4-5,7-8,10-11H2;(H,6,7).
What are the key properties of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 454.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).