4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide

C25H29N7O4S — CID 86345570

IUPAC4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1
InChIInChI=1S/C25H29N7O4S/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34)
InChIKeySKYSIJCJSJFVKS-UHFFFAOYSA-N
MW523.62 g/mol
LogP2.08
Rot. Bonds6

About 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide

4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide (PubChem CID 86345570) has the molecular formula C25H29N7O4S and a molecular weight of 523.62 g/mol. Its IUPAC name is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide
PubChem CID86345570
Molecular FormulaC25H29N7O4S
Molecular Weight523.62 g/mol
Exact Mass523.20
IUPAC Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1
InChIInChI=1S/C25H29N7O4S/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34)
InChIKeySKYSIJCJSJFVKS-UHFFFAOYSA-N
XLogP2.08
TPSA128.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide (CID 86345570) is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1.
What is the InChIKey of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide?
The InChIKey is SKYSIJCJSJFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4S/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34).
What are the key properties of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide?
4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide has a molecular weight of 523.62 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 86345570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).