N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine

C23H24N6O — CID 71525897

IUPACN-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
SMILESCOCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C23H24N6O/c1-30-16-18-9-6-13-28(18)22-11-5-10-21(26-22)25-20-15-19(17-7-3-2-4-8-17)27-29-14-12-24-23(20)29/h2-5,7-8,10-12,14-15,18H,6,9,13,16H2,1H3,(H,25,26)
InChIKeyWSVNIAQPDBBVAE-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.15
Rot. Bonds6

About N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine

N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525897) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
PubChem CID71525897
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
SMILESCOCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C23H24N6O/c1-30-16-18-9-6-13-28(18)22-11-5-10-21(26-22)25-20-15-19(17-7-3-2-4-8-17)27-29-14-12-24-23(20)29/h2-5,7-8,10-12,14-15,18H,6,9,13,16H2,1H3,(H,25,26)
InChIKeyWSVNIAQPDBBVAE-UHFFFAOYSA-N
XLogP4.15
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine (CID 71525897) is N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine is COCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1.
What is the InChIKey of N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is WSVNIAQPDBBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-16-18-9-6-13-28(18)22-11-5-10-21(26-22)25-20-15-19(17-7-3-2-4-8-17)27-29-14-12-24-23(20)29/h2-5,7-8,10-12,14-15,18H,6,9,13,16H2,1H3,(H,25,26).
What are the key properties of N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 400.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).