1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one

C19H16F3N7O — CID 25117658

IUPAC1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one
SMILESNCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)13-7-12(8-26-18(13)24)15-9-25-16-3-2-14(27-29(15)16)11-1-4-17(30)28(10-11)6-5-23/h1-4,7-10H,5-6,23H2,(H2,24,26)
InChIKeyQCYDYGBMICSQCR-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one

1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one (PubChem CID 25117658) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one
PubChem CID25117658
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one
SMILESNCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)13-7-12(8-26-18(13)24)15-9-25-16-3-2-14(27-29(15)16)11-1-4-17(30)28(10-11)6-5-23/h1-4,7-10H,5-6,23H2,(H2,24,26)
InChIKeyQCYDYGBMICSQCR-UHFFFAOYSA-N
XLogP2.18
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one (CID 25117658) is 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one is NCCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one?
The InChIKey is QCYDYGBMICSQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c20-19(21,22)13-7-12(8-26-18(13)24)15-9-25-16-3-2-14(27-29(15)16)11-1-4-17(30)28(10-11)6-5-23/h1-4,7-10H,5-6,23H2,(H2,24,26).
What are the key properties of 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one?
1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one has a molecular weight of 415.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-one is sourced from PubChem (CID 25117658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).