6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine

C22H25N9 — CID 167122401

IUPAC6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
SMILESc1cc(NC2CCNCC2)nc(-c2cnc3ccc(-c4cnn(C5CNC5)c4)nn23)c1
InChIInChI=1S/C22H25N9/c1-2-19(28-21(3-1)27-16-6-8-23-9-7-16)20-13-25-22-5-4-18(29-31(20)22)15-10-26-30(14-15)17-11-24-12-17/h1-5,10,13-14,16-17,23-24H,6-9,11-12H2,(H,27,28)
InChIKeyFZXUUSTWNKQUDE-UHFFFAOYSA-N
MW415.51 g/mol
LogP1.96
Rot. Bonds5

About 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine

6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine (PubChem CID 167122401) has the molecular formula C22H25N9 and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
PubChem CID167122401
Molecular FormulaC22H25N9
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine
SMILESc1cc(NC2CCNCC2)nc(-c2cnc3ccc(-c4cnn(C5CNC5)c4)nn23)c1
InChIInChI=1S/C22H25N9/c1-2-19(28-21(3-1)27-16-6-8-23-9-7-16)20-13-25-22-5-4-18(29-31(20)22)15-10-26-30(14-15)17-11-24-12-17/h1-5,10,13-14,16-17,23-24H,6-9,11-12H2,(H,27,28)
InChIKeyFZXUUSTWNKQUDE-UHFFFAOYSA-N
XLogP1.96
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine?
The IUPAC name of 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine (CID 167122401) is 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine is c1cc(NC2CCNCC2)nc(-c2cnc3ccc(-c4cnn(C5CNC5)c4)nn23)c1.
What is the InChIKey of 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine?
The InChIKey is FZXUUSTWNKQUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9/c1-2-19(28-21(3-1)27-16-6-8-23-9-7-16)20-13-25-22-5-4-18(29-31(20)22)15-10-26-30(14-15)17-11-24-12-17/h1-5,10,13-14,16-17,23-24H,6-9,11-12H2,(H,27,28).
What are the key properties of 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine?
6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine has a molecular weight of 415.51 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[1-(azetidin-3-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 167122401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).