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

C27H31ClN6O3S — CID 134148636

IUPAC6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCCCC5)c4)c(C)nc23)ccn1
InChIInChI=1S/C27H31ClN6O3S/c1-4-21-14-19(10-11-29-21)17-30-22-16-25(28)32-34-26(18(2)31-27(22)34)20-8-9-23(37-3)24(15-20)38(35,36)33-12-6-5-7-13-33/h8-11,14-16,30H,4-7,12-13,17H2,1-3H3
InChIKeyQWZDWGWZJNBEQJ-UHFFFAOYSA-N
MW555.10 g/mol
LogP5.11
Rot. Bonds8

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

6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 134148636) has the molecular formula C27H31ClN6O3S and a molecular weight of 555.10 g/mol. Its IUPAC name is 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
PubChem CID134148636
Molecular FormulaC27H31ClN6O3S
Molecular Weight555.10 g/mol
Exact Mass554.19
IUPAC Name6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCCCC5)c4)c(C)nc23)ccn1
InChIInChI=1S/C27H31ClN6O3S/c1-4-21-14-19(10-11-29-21)17-30-22-16-25(28)32-34-26(18(2)31-27(22)34)20-8-9-23(37-3)24(15-20)38(35,36)33-12-6-5-7-13-33/h8-11,14-16,30H,4-7,12-13,17H2,1-3H3
InChIKeyQWZDWGWZJNBEQJ-UHFFFAOYSA-N
XLogP5.11
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.10
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (CID 134148636) is 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCCCC5)c4)c(C)nc23)ccn1.
What is the InChIKey of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is QWZDWGWZJNBEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN6O3S/c1-4-21-14-19(10-11-29-21)17-30-22-16-25(28)32-34-26(18(2)31-27(22)34)20-8-9-23(37-3)24(15-20)38(35,36)33-12-6-5-7-13-33/h8-11,14-16,30H,4-7,12-13,17H2,1-3H3.
What are the key properties of 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 555.10 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 134148636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).