5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H26F3N7O — CID 68671822

IUPAC5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(Oc2ccc(-c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nn34)cn2)CC1
InChIInChI=1S/C25H26F3N7O/c1-15(2)34-9-7-18(8-10-34)36-23-6-3-16(12-31-23)21-14-30-22-5-4-20(33-35(21)22)17-11-19(25(26,27)28)24(29)32-13-17/h3-6,11-15,18H,7-10H2,1-2H3,(H2,29,32)
InChIKeyZZJJTUITNBDWOB-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.71
Rot. Bonds5

About 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 68671822) has the molecular formula C25H26F3N7O and a molecular weight of 497.53 g/mol. Its IUPAC name is 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID68671822
Molecular FormulaC25H26F3N7O
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(Oc2ccc(-c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nn34)cn2)CC1
InChIInChI=1S/C25H26F3N7O/c1-15(2)34-9-7-18(8-10-34)36-23-6-3-16(12-31-23)21-14-30-22-5-4-20(33-35(21)22)17-11-19(25(26,27)28)24(29)32-13-17/h3-6,11-15,18H,7-10H2,1-2H3,(H2,29,32)
InChIKeyZZJJTUITNBDWOB-UHFFFAOYSA-N
XLogP4.71
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 68671822) is 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)N1CCC(Oc2ccc(-c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nn34)cn2)CC1.
What is the InChIKey of 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZZJJTUITNBDWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O/c1-15(2)34-9-7-18(8-10-34)36-23-6-3-16(12-31-23)21-14-30-22-5-4-20(33-35(21)22)17-11-19(25(26,27)28)24(29)32-13-17/h3-6,11-15,18H,7-10H2,1-2H3,(H2,29,32).
What are the key properties of 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 497.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 68671822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).