2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide

C25H27N7O4 — CID 118224356

IUPAC2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C25H27N7O4/c1-16-13-17(5-6-26-16)24-28-19(15-35-24)23(33)27-18-14-20-21(29-22(18)31-7-3-2-4-8-31)30-25(36-20)32-9-11-34-12-10-32/h5-6,13-15H,2-4,7-12H2,1H3,(H,27,33)
InChIKeyQRCFVLZQXUUWQU-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide

2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 118224356) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID118224356
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C25H27N7O4/c1-16-13-17(5-6-26-16)24-28-19(15-35-24)23(33)27-18-14-20-21(29-22(18)31-7-3-2-4-8-31)30-25(36-20)32-9-11-34-12-10-32/h5-6,13-15H,2-4,7-12H2,1H3,(H,27,33)
InChIKeyQRCFVLZQXUUWQU-UHFFFAOYSA-N
XLogP3.66
TPSA122.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide (CID 118224356) is 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCCCC3)co2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is QRCFVLZQXUUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-16-13-17(5-6-26-16)24-28-19(15-35-24)23(33)27-18-14-20-21(29-22(18)31-7-3-2-4-8-31)30-25(36-20)32-9-11-34-12-10-32/h5-6,13-15H,2-4,7-12H2,1H3,(H,27,33).
What are the key properties of 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118224356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).