5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H25F3N6O2 — CID 59606628

IUPAC5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OC1CCNCC1
InChIInChI=1S/C25H25F3N6O2/c1-14-23(16-11-18(25(26,27)28)24(29)31-13-16)34-22(32-14)6-4-19(33-34)15-3-5-20(21(12-15)35-2)36-17-7-9-30-10-8-17/h3-6,11-13,17,30H,7-10H2,1-2H3,(H2,29,31)
InChIKeyPBOBKCAXSQCYCB-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.51
Rot. Bonds5

About 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 59606628) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID59606628
Molecular FormulaC25H25F3N6O2
Molecular Weight498.51 g/mol
Exact Mass498.20
IUPAC Name5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OC1CCNCC1
InChIInChI=1S/C25H25F3N6O2/c1-14-23(16-11-18(25(26,27)28)24(29)31-13-16)34-22(32-14)6-4-19(33-34)15-3-5-20(21(12-15)35-2)36-17-7-9-30-10-8-17/h3-6,11-13,17,30H,7-10H2,1-2H3,(H2,29,31)
InChIKeyPBOBKCAXSQCYCB-UHFFFAOYSA-N
XLogP4.51
TPSA99.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 59606628) is 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine is COc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OC1CCNCC1.
What is the InChIKey of 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PBOBKCAXSQCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-14-23(16-11-18(25(26,27)28)24(29)31-13-16)34-22(32-14)6-4-19(33-34)15-3-5-20(21(12-15)35-2)36-17-7-9-30-10-8-17/h3-6,11-13,17,30H,7-10H2,1-2H3,(H2,29,31).
What are the key properties of 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 498.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59606628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).