N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C19H15N5O3S — CID 134551847

IUPACN-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5O3S/c1-28(26,27)17-8-9-20-11-15(17)23-19(25)14-7-10-21-24-12-16(22-18(14)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,25)
InChIKeyDHZZLYIYWJJLRB-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.45
Rot. Bonds4

About N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551847) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551847
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5O3S/c1-28(26,27)17-8-9-20-11-15(17)23-19(25)14-7-10-21-24-12-16(22-18(14)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,25)
InChIKeyDHZZLYIYWJJLRB-UHFFFAOYSA-N
XLogP2.45
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551847) is N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is CS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is DHZZLYIYWJJLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-28(26,27)17-8-9-20-11-15(17)23-19(25)14-7-10-21-24-12-16(22-18(14)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,25).
What are the key properties of N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonyl-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).