N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide

C17H15N7O2S — CID 144628378

IUPACN-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide
SMILESCOc1ncc(-c2ccc3ncc(N)n3n2)cc1NS(=O)c1cccnc1
InChIInChI=1S/C17H15N7O2S/c1-26-17-14(23-27(25)12-3-2-6-19-9-12)7-11(8-21-17)13-4-5-16-20-10-15(18)24(16)22-13/h2-10,23H,18H2,1H3
InChIKeyANVAVPVXGNJFRQ-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.91
Rot. Bonds5

About N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide

N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide (PubChem CID 144628378) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide
PubChem CID144628378
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC NameN-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide
SMILESCOc1ncc(-c2ccc3ncc(N)n3n2)cc1NS(=O)c1cccnc1
InChIInChI=1S/C17H15N7O2S/c1-26-17-14(23-27(25)12-3-2-6-19-9-12)7-11(8-21-17)13-4-5-16-20-10-15(18)24(16)22-13/h2-10,23H,18H2,1H3
InChIKeyANVAVPVXGNJFRQ-UHFFFAOYSA-N
XLogP1.91
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide?
The IUPAC name of N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide (CID 144628378) is N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide.
What is the SMILES notation for N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide?
The canonical SMILES for N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide is COc1ncc(-c2ccc3ncc(N)n3n2)cc1NS(=O)c1cccnc1.
What is the InChIKey of N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide?
The InChIKey is ANVAVPVXGNJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-26-17-14(23-27(25)12-3-2-6-19-9-12)7-11(8-21-17)13-4-5-16-20-10-15(18)24(16)22-13/h2-10,23H,18H2,1H3.
What are the key properties of N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide?
N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide has a molecular weight of 381.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfinamide is sourced from PubChem (CID 144628378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).