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

C24H24F6N4O5 — CID 118745636

IUPAC2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4ccncc4)CCO3)c2c1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-2-17(16-4-5-16)24-14-22-20(18(24)3-1)19-13-23(10-11-25-19)12-15-6-8-21-9-7-15;2*3-2(4,5)1(6)7/h1-3,6-9,14,16,19H,4-5,10-13H2;2*(H,6,7)
InChIKeyCYVUGSPJCUDETR-UHFFFAOYSA-N
MW562.47 g/mol
LogP4.45
Rot. Bonds4

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

2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745636) 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-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745636
Molecular FormulaC24H24F6N4O5
Molecular Weight562.47 g/mol
Exact Mass562.17
IUPAC Name2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4ccncc4)CCO3)c2c1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c1-2-17(16-4-5-16)24-14-22-20(18(24)3-1)19-13-23(10-11-25-19)12-15-6-8-21-9-7-15;2*3-2(4,5)1(6)7/h1-3,6-9,14,16,19H,4-5,10-13H2;2*(H,6,7)
InChIKeyCYVUGSPJCUDETR-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-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) (CID 118745636) is 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-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-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(C2CC2)n2cnc(C3CN(Cc4ccncc4)CCO3)c2c1.
What is the InChIKey of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CYVUGSPJCUDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.2C2HF3O2/c1-2-17(16-4-5-16)24-14-22-20(18(24)3-1)19-13-23(10-11-25-19)12-15-6-8-21-9-7-15;2*3-2(4,5)1(6)7/h1-3,6-9,14,16,19H,4-5,10-13H2;2*(H,6,7).
What are the key properties of 2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)?
2-(5-cyclopropylimidazo[1,5-a]pyridin-1-yl)-4-(pyridin-4-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-4-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).