N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide

C26H25N7O4S — CID 86345815

IUPACN-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C26H25N7O4S/c1-38(34,35)31-23-8-6-19(14-27-23)22-15-28-25(32-10-12-36-13-11-32)26-29-20(16-33(22)26)17-37-24-9-7-18-4-2-3-5-21(18)30-24/h2-9,14-16H,10-13,17H2,1H3,(H,27,31)
InChIKeySHMLDAYPZRZRDY-UHFFFAOYSA-N
MW531.60 g/mol
LogP3.13
Rot. Bonds7

About N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide

N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 86345815) has the molecular formula C26H25N7O4S and a molecular weight of 531.60 g/mol. Its IUPAC name is N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide
PubChem CID86345815
Molecular FormulaC26H25N7O4S
Molecular Weight531.60 g/mol
Exact Mass531.17
IUPAC NameN-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C26H25N7O4S/c1-38(34,35)31-23-8-6-19(14-27-23)22-15-28-25(32-10-12-36-13-11-32)26-29-20(16-33(22)26)17-37-24-9-7-18-4-2-3-5-21(18)30-24/h2-9,14-16H,10-13,17H2,1H3,(H,27,31)
InChIKeySHMLDAYPZRZRDY-UHFFFAOYSA-N
XLogP3.13
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide (CID 86345815) is N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1.
What is the InChIKey of N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is SHMLDAYPZRZRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4S/c1-38(34,35)31-23-8-6-19(14-27-23)22-15-28-25(32-10-12-36-13-11-32)26-29-20(16-33(22)26)17-37-24-9-7-18-4-2-3-5-21(18)30-24/h2-9,14-16H,10-13,17H2,1H3,(H,27,31).
What are the key properties of N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 531.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 86345815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).