N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

C20H24F3N7 — CID 53357958

IUPACN-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(NCCC(F)(F)F)nc4)n3n2)CC1
InChIInChI=1S/C20H24F3N7/c1-29-10-6-15(7-11-29)27-18-4-5-19-26-13-16(30(19)28-18)14-2-3-17(25-12-14)24-9-8-20(21,22)23/h2-5,12-13,15H,6-11H2,1H3,(H,24,25)(H,27,28)
InChIKeyKMYTWXHOJWRLDN-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.66
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 53357958) has the molecular formula C20H24F3N7 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID53357958
Molecular FormulaC20H24F3N7
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(NCCC(F)(F)F)nc4)n3n2)CC1
InChIInChI=1S/C20H24F3N7/c1-29-10-6-15(7-11-29)27-18-4-5-19-26-13-16(30(19)28-18)14-2-3-17(25-12-14)24-9-8-20(21,22)23/h2-5,12-13,15H,6-11H2,1H3,(H,24,25)(H,27,28)
InChIKeyKMYTWXHOJWRLDN-UHFFFAOYSA-N
XLogP3.66
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (CID 53357958) is N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4ccc(NCCC(F)(F)F)nc4)n3n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KMYTWXHOJWRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7/c1-29-10-6-15(7-11-29)27-18-4-5-19-26-13-16(30(19)28-18)14-2-3-17(25-12-14)24-9-8-20(21,22)23/h2-5,12-13,15H,6-11H2,1H3,(H,24,25)(H,27,28).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 419.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53357958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).