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

C26H23N7O3 — CID 86345856

IUPAC5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C26H23N7O3/c27-24(34)21-7-5-18(13-28-21)22-14-29-25(32-9-11-35-12-10-32)26-30-19(15-33(22)26)16-36-23-8-6-17-3-1-2-4-20(17)31-23/h1-8,13-15H,9-12,16H2,(H2,27,34)
InChIKeyBEXRTWIIXYJQND-UHFFFAOYSA-N
MW481.52 g/mol
LogP2.85
Rot. Bonds6

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

5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide (PubChem CID 86345856) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide
PubChem CID86345856
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C26H23N7O3/c27-24(34)21-7-5-18(13-28-21)22-14-29-25(32-9-11-35-12-10-32)26-30-19(15-33(22)26)16-36-23-8-6-17-3-1-2-4-20(17)31-23/h1-8,13-15H,9-12,16H2,(H2,27,34)
InChIKeyBEXRTWIIXYJQND-UHFFFAOYSA-N
XLogP2.85
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide (CID 86345856) is 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1.
What is the InChIKey of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide?
The InChIKey is BEXRTWIIXYJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c27-24(34)21-7-5-18(13-28-21)22-14-29-25(32-9-11-35-12-10-32)26-30-19(15-33(22)26)16-36-23-8-6-17-3-1-2-4-20(17)31-23/h1-8,13-15H,9-12,16H2,(H2,27,34).
What are the key properties of 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide?
5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86345856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).