4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C18H18F2N6O3S — CID 122424380

IUPAC4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cccn3ccnc23)CC1
InChIInChI=1S/C18H18F2N6O3S/c19-18(20,30(28,29)15-2-1-8-25-11-7-21-16(15)25)13-4-9-26(10-5-13)17(27)24-14-3-6-22-23-12-14/h1-3,6-8,11-13H,4-5,9-10H2,(H,22,24,27)
InChIKeyATJGVLYHBNYNPA-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.43
Rot. Bonds4

About 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 122424380) has the molecular formula C18H18F2N6O3S and a molecular weight of 436.44 g/mol. Its IUPAC name is 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID122424380
Molecular FormulaC18H18F2N6O3S
Molecular Weight436.44 g/mol
Exact Mass436.11
IUPAC Name4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cccn3ccnc23)CC1
InChIInChI=1S/C18H18F2N6O3S/c19-18(20,30(28,29)15-2-1-8-25-11-7-21-16(15)25)13-4-9-26(10-5-13)17(27)24-14-3-6-22-23-12-14/h1-3,6-8,11-13H,4-5,9-10H2,(H,22,24,27)
InChIKeyATJGVLYHBNYNPA-UHFFFAOYSA-N
XLogP2.43
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 122424380) is 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is O=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2cccn3ccnc23)CC1.
What is the InChIKey of 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is ATJGVLYHBNYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O3S/c19-18(20,30(28,29)15-2-1-8-25-11-7-21-16(15)25)13-4-9-26(10-5-13)17(27)24-14-3-6-22-23-12-14/h1-3,6-8,11-13H,4-5,9-10H2,(H,22,24,27).
What are the key properties of 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(imidazo[1,2-a]pyridin-8-ylsulfonyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 122424380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).