4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C29H29N7O3 — CID 123133256

IUPAC4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(N6CCOCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C29H29N7O3/c1-2-4-24-21(3-1)6-8-27(33-24)39-20-23-19-36-25(18-31-28(29(36)32-23)35-11-15-38-16-12-35)22-5-7-26(30-17-22)34-9-13-37-14-10-34/h1-8,17-19H,9-16,20H2
InChIKeyTUXJSDBVQINSPH-UHFFFAOYSA-N
MW523.60 g/mol
LogP3.59
Rot. Bonds6

About 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133256) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133256
Molecular FormulaC29H29N7O3
Molecular Weight523.60 g/mol
Exact Mass523.23
IUPAC Name4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(N6CCOCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C29H29N7O3/c1-2-4-24-21(3-1)6-8-27(33-24)39-20-23-19-36-25(18-31-28(29(36)32-23)35-11-15-38-16-12-35)22-5-7-26(30-17-22)34-9-13-37-14-10-34/h1-8,17-19H,9-16,20H2
InChIKeyTUXJSDBVQINSPH-UHFFFAOYSA-N
XLogP3.59
TPSA90.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133256) is 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(OCc3cn4c(-c5ccc(N6CCOCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is TUXJSDBVQINSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3/c1-2-4-24-21(3-1)6-8-27(33-24)39-20-23-19-36-25(18-31-28(29(36)32-23)35-11-15-38-16-12-35)22-5-7-26(30-17-22)34-9-13-37-14-10-34/h1-8,17-19H,9-16,20H2.
What are the key properties of 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 523.60 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-morpholin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).