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

C24H24F6N4O5 — CID 118745630

IUPAC2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(CN2CCOC(c3ncn4c(C5CC5)cccc34)C2)c1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-4-17(16-6-7-16)24-14-22-20(18(24)5-1)19-13-23(9-10-25-19)12-15-3-2-8-21-11-15;2*3-2(4,5)1(6)7/h1-5,8,11,14,16,19H,6-7,9-10,12-13H2;2*(H,6,7)
InChIKeyCZAOLBNWDYNVDO-UHFFFAOYSA-N
MW562.47 g/mol
LogP4.45
Rot. Bonds4

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

2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745630) has the molecular formula C24H24F6N4O5 and a molecular weight of 562.47 g/mol. Its IUPAC name is 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745630
Molecular FormulaC24H24F6N4O5
Molecular Weight562.47 g/mol
Exact Mass562.17
IUPAC Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(CN2CCOC(c3ncn4c(C5CC5)cccc34)C2)c1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-4-17(16-6-7-16)24-14-22-20(18(24)5-1)19-13-23(9-10-25-19)12-15-3-2-8-21-11-15;2*3-2(4,5)1(6)7/h1-5,8,11,14,16,19H,6-7,9-10,12-13H2;2*(H,6,7)
InChIKeyCZAOLBNWDYNVDO-UHFFFAOYSA-N
XLogP4.45
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
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-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (CID 118745630) is 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(CN2CCOC(c3ncn4c(C5CC5)cccc34)C2)c1.
What is the InChIKey of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CZAOLBNWDYNVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.2C2HF3O2/c1-4-17(16-6-7-16)24-14-22-20(18(24)5-1)19-13-23(9-10-25-19)12-15-3-2-8-21-11-15;2*3-2(4,5)1(6)7/h1-5,8,11,14,16,19H,6-7,9-10,12-13H2;2*(H,6,7).
What are the key properties of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 562.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 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-(pyridin-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).