7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C32H40N8O4 — CID 14953567

IUPAC7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1cc(CN2CCOCCOCCN(Cc3cccc(-c4cnccn4)n3)CCOCCOCC2)nc(-c2cnccn2)c1
InChIInChI=1S/C32H40N8O4/c1-3-27(37-29(5-1)31-23-33-7-9-35-31)25-39-11-15-41-19-21-43-17-13-40(14-18-44-22-20-42-16-12-39)26-28-4-2-6-30(38-28)32-24-34-8-10-36-32/h1-10,23-24H,11-22,25-26H2
InChIKeyAASLDEXKVCLQQC-UHFFFAOYSA-N
MW600.72 g/mol
LogP2.77
Rot. Bonds6

About 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 14953567) has the molecular formula C32H40N8O4 and a molecular weight of 600.72 g/mol. Its IUPAC name is 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID14953567
Molecular FormulaC32H40N8O4
Molecular Weight600.72 g/mol
Exact Mass600.32
IUPAC Name7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1cc(CN2CCOCCOCCN(Cc3cccc(-c4cnccn4)n3)CCOCCOCC2)nc(-c2cnccn2)c1
InChIInChI=1S/C32H40N8O4/c1-3-27(37-29(5-1)31-23-33-7-9-35-31)25-39-11-15-41-19-21-43-17-13-40(14-18-44-22-20-42-16-12-39)26-28-4-2-6-30(38-28)32-24-34-8-10-36-32/h1-10,23-24H,11-22,25-26H2
InChIKeyAASLDEXKVCLQQC-UHFFFAOYSA-N
XLogP2.77
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane with MolForge

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Related Compounds

16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane
CID 100957509
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
13-(1,10-phenanthrolin-2-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 100957507
2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
CID 59750387
amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
CID 174630736
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
4-[(6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]morpholine
CID 56736808

Frequently Asked Questions

What is the IUPAC name of 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 14953567) is 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is c1cc(CN2CCOCCOCCN(Cc3cccc(-c4cnccn4)n3)CCOCCOCC2)nc(-c2cnccn2)c1.
What is the InChIKey of 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is AASLDEXKVCLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N8O4/c1-3-27(37-29(5-1)31-23-33-7-9-35-31)25-39-11-15-41-19-21-43-17-13-40(14-18-44-22-20-42-16-12-39)26-28-4-2-6-30(38-28)32-24-34-8-10-36-32/h1-10,23-24H,11-22,25-26H2.
What are the key properties of 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 600.72 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 14953567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).