6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C23H22N8 — CID 71525899

IUPAC6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4[nH]ncc4c3)nn3ccnc23)n1
InChIInChI=1S/C23H22N8/c1-15-4-3-10-30(15)22-6-2-5-21(27-22)26-20-13-19(29-31-11-9-24-23(20)31)16-7-8-18-17(12-16)14-25-28-18/h2,5-9,11-15H,3-4,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyVEHHNPXQTIIXQL-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.40
Rot. Bonds4

About 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525899) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71525899
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4[nH]ncc4c3)nn3ccnc23)n1
InChIInChI=1S/C23H22N8/c1-15-4-3-10-30(15)22-6-2-5-21(27-22)26-20-13-19(29-31-11-9-24-23(20)31)16-7-8-18-17(12-16)14-25-28-18/h2,5-9,11-15H,3-4,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyVEHHNPXQTIIXQL-UHFFFAOYSA-N
XLogP4.40
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71525899) is 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc4[nH]ncc4c3)nn3ccnc23)n1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is VEHHNPXQTIIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-15-4-3-10-30(15)22-6-2-5-21(27-22)26-20-13-19(29-31-11-9-24-23(20)31)16-7-8-18-17(12-16)14-25-28-18/h2,5-9,11-15H,3-4,10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 410.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).