N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H21F3N6O4 — CID 137084611

IUPACN-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CNC(OCC(O)CO)CN1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)14-4-2-1-3-13(14)15-5-6-18-26-7-16(30(18)29-15)20(33)28-17-8-27-19(9-25-17)34-11-12(32)10-31/h1-8,12,19,25,27,31-32H,9-11H2,(H,28,33)
InChIKeyRXYXBTXZWVWKME-UHFFFAOYSA-N
MW478.43 g/mol
LogP0.83
Rot. Bonds7

About N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 137084611) has the molecular formula C21H21F3N6O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID137084611
Molecular FormulaC21H21F3N6O4
Molecular Weight478.43 g/mol
Exact Mass478.16
IUPAC NameN-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CNC(OCC(O)CO)CN1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)14-4-2-1-3-13(14)15-5-6-18-26-7-16(30(18)29-15)20(33)28-17-8-27-19(9-25-17)34-11-12(32)10-31/h1-8,12,19,25,27,31-32H,9-11H2,(H,28,33)
InChIKeyRXYXBTXZWVWKME-UHFFFAOYSA-N
XLogP0.83
TPSA133.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 137084611) is N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1=CNC(OCC(O)CO)CN1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RXYXBTXZWVWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O4/c22-21(23,24)14-4-2-1-3-13(14)15-5-6-18-26-7-16(30(18)29-15)20(33)28-17-8-27-19(9-25-17)34-11-12(32)10-31/h1-8,12,19,25,27,31-32H,9-11H2,(H,28,33).
What are the key properties of N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 478.43 g/mol, XLogP of 0.83, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropoxy)-1,2,3,4-tetrahydropyrazin-5-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 137084611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).