5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine

C29H27N9O4 — CID 69042141

IUPAC5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc2nc(-c3cnc(N4CCOCC4)nc3)cn2c1.NC(=O)c1ccc(-c2cn3cc(O)ccc3n2)cn1
InChIInChI=1S/C16H17N5O2.C13H10N4O2/c1-22-13-2-3-15-19-14(11-21(15)10-13)12-8-17-16(18-9-12)20-4-6-23-7-5-20;14-13(19)10-3-1-8(5-15-10)11-7-17-6-9(18)2-4-12(17)16-11/h2-3,8-11H,4-7H2,1H3;1-7,18H,(H2,14,19)
InChIKeyZGVVJLXRJZHQLH-UHFFFAOYSA-N
MW565.59 g/mol
LogP2.84
Rot. Bonds5

About 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine

5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 69042141) has the molecular formula C29H27N9O4 and a molecular weight of 565.59 g/mol. Its IUPAC name is 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine
PubChem CID69042141
Molecular FormulaC29H27N9O4
Molecular Weight565.59 g/mol
Exact Mass565.22
IUPAC Name5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc2nc(-c3cnc(N4CCOCC4)nc3)cn2c1.NC(=O)c1ccc(-c2cn3cc(O)ccc3n2)cn1
InChIInChI=1S/C16H17N5O2.C13H10N4O2/c1-22-13-2-3-15-19-14(11-21(15)10-13)12-8-17-16(18-9-12)20-4-6-23-7-5-20;14-13(19)10-3-1-8(5-15-10)11-7-17-6-9(18)2-4-12(17)16-11/h2-3,8-11H,4-7H2,1H3;1-7,18H,(H2,14,19)
InChIKeyZGVVJLXRJZHQLH-UHFFFAOYSA-N
XLogP2.84
TPSA158.29 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine (CID 69042141) is 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine is COc1ccc2nc(-c3cnc(N4CCOCC4)nc3)cn2c1.NC(=O)c1ccc(-c2cn3cc(O)ccc3n2)cn1.
What is the InChIKey of 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is ZGVVJLXRJZHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.C13H10N4O2/c1-22-13-2-3-15-19-14(11-21(15)10-13)12-8-17-16(18-9-12)20-4-6-23-7-5-20;14-13(19)10-3-1-8(5-15-10)11-7-17-6-9(18)2-4-12(17)16-11/h2-3,8-11H,4-7H2,1H3;1-7,18H,(H2,14,19).
What are the key properties of 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine?
5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 565.59 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)pyridine-2-carboxamide;4-[5-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 69042141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).