3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid

C27H28N10O3 — CID 155227828

IUPAC3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(CN4CCCN(c5cccc(CN)n5)C4)o3)cn12
InChIInChI=1S/C27H28N10O3/c1-16-11-30-20-7-6-17(13-37(16)20)22-23(34-25(29)24(33-22)27(38)39)26-31-12-19(40-26)14-35-8-3-9-36(15-35)21-5-2-4-18(10-28)32-21/h2,4-7,11-13H,3,8-10,14-15,28H2,1H3,(H2,29,34)(H,38,39)
InChIKeyADOIEAMJYNOXRI-UHFFFAOYSA-N
MW540.59 g/mol
LogP2.56
Rot. Bonds7

About 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid

3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid (PubChem CID 155227828) has the molecular formula C27H28N10O3 and a molecular weight of 540.59 g/mol. Its IUPAC name is 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
PubChem CID155227828
Molecular FormulaC27H28N10O3
Molecular Weight540.59 g/mol
Exact Mass540.23
IUPAC Name3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(CN4CCCN(c5cccc(CN)n5)C4)o3)cn12
InChIInChI=1S/C27H28N10O3/c1-16-11-30-20-7-6-17(13-37(16)20)22-23(34-25(29)24(33-22)27(38)39)26-31-12-19(40-26)14-35-8-3-9-36(15-35)21-5-2-4-18(10-28)32-21/h2,4-7,11-13H,3,8-10,14-15,28H2,1H3,(H2,29,34)(H,38,39)
InChIKeyADOIEAMJYNOXRI-UHFFFAOYSA-N
XLogP2.56
TPSA177.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid (CID 155227828) is 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid is Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(CN4CCCN(c5cccc(CN)n5)C4)o3)cn12.
What is the InChIKey of 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The InChIKey is ADOIEAMJYNOXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10O3/c1-16-11-30-20-7-6-17(13-37(16)20)22-23(34-25(29)24(33-22)27(38)39)26-31-12-19(40-26)14-35-8-3-9-36(15-35)21-5-2-4-18(10-28)32-21/h2,4-7,11-13H,3,8-10,14-15,28H2,1H3,(H2,29,34)(H,38,39).
What are the key properties of 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid has a molecular weight of 540.59 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-[[3-[6-(aminomethyl)-2-pyridinyl]-1,3-diazinan-1-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 155227828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).