6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine

C22H22ClN5O — CID 134145381

IUPAC6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)cc4)c(C)nc23)ccn1
InChIInChI=1S/C22H22ClN5O/c1-4-17-11-15(9-10-24-17)13-25-19-12-20(23)27-28-21(14(2)26-22(19)28)16-5-7-18(29-3)8-6-16/h5-12,25H,4,13H2,1-3H3
InChIKeyWPVNZKRDXBNIBL-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.94
Rot. Bonds6

About 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine

6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 134145381) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
PubChem CID134145381
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)cc4)c(C)nc23)ccn1
InChIInChI=1S/C22H22ClN5O/c1-4-17-11-15(9-10-24-17)13-25-19-12-20(23)27-28-21(14(2)26-22(19)28)16-5-7-18(29-3)8-6-16/h5-12,25H,4,13H2,1-3H3
InChIKeyWPVNZKRDXBNIBL-UHFFFAOYSA-N
XLogP4.94
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (CID 134145381) is 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)cc4)c(C)nc23)ccn1.
What is the InChIKey of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is WPVNZKRDXBNIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-4-17-11-15(9-10-24-17)13-25-19-12-20(23)27-28-21(14(2)26-22(19)28)16-5-7-18(29-3)8-6-16/h5-12,25H,4,13H2,1-3H3.
What are the key properties of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 407.91 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 134145381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).