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

C23H22N6O4 — CID 91824142

IUPACN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1
InChIInChI=1S/C23H22N6O4/c1-13-10-15(4-5-24-13)22-26-17(12-32-22)21(30)25-16-11-18-20(27-19(16)14-2-3-14)28-23(33-18)29-6-8-31-9-7-29/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,30)
InChIKeyCCWQTGLUTUNECO-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.55
Rot. Bonds5

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

N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 91824142) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID91824142
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1
InChIInChI=1S/C23H22N6O4/c1-13-10-15(4-5-24-13)22-26-17(12-32-22)21(30)25-16-11-18-20(27-19(16)14-2-3-14)28-23(33-18)29-6-8-31-9-7-29/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,30)
InChIKeyCCWQTGLUTUNECO-UHFFFAOYSA-N
XLogP3.55
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 91824142) is N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1.
What is the InChIKey of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CCWQTGLUTUNECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13-10-15(4-5-24-13)22-26-17(12-32-22)21(30)25-16-11-18-20(27-19(16)14-2-3-14)28-23(33-18)29-6-8-31-9-7-29/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,30).
What are the key properties of N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91824142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).