[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

C19H19F3N6O3 — CID 71037769

IUPAC[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCC(Oc1nc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cnc1N)C(F)(F)F
InChIInChI=1S/C19H19F3N6O3/c1-11(19(20,21)22)31-17-16(23)25-8-13(26-17)12-2-3-15-24-9-14(28(15)10-12)18(29)27-4-6-30-7-5-27/h2-3,8-11H,4-7H2,1H3,(H2,23,25)
InChIKeyCWBHEAUOWPNFSA-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.18
Rot. Bonds4

About [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 71037769) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID71037769
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCC(Oc1nc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cnc1N)C(F)(F)F
InChIInChI=1S/C19H19F3N6O3/c1-11(19(20,21)22)31-17-16(23)25-8-13(26-17)12-2-3-15-24-9-14(28(15)10-12)18(29)27-4-6-30-7-5-27/h2-3,8-11H,4-7H2,1H3,(H2,23,25)
InChIKeyCWBHEAUOWPNFSA-UHFFFAOYSA-N
XLogP2.18
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 71037769) is [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is CC(Oc1nc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)cnc1N)C(F)(F)F.
What is the InChIKey of [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CWBHEAUOWPNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c1-11(19(20,21)22)31-17-16(23)25-8-13(26-17)12-2-3-15-24-9-14(28(15)10-12)18(29)27-4-6-30-7-5-27/h2-3,8-11H,4-7H2,1H3,(H2,23,25).
What are the key properties of [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 436.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-amino-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71037769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).