3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C26H24N4O3 — CID 166183063

IUPAC3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCO1)c1cc(-c2cccnc2)nc2onc(C3CC3)c12
InChIInChI=1S/C26H24N4O3/c31-25(29-23(21-9-5-13-32-21)16-6-2-1-3-7-16)19-14-20(18-8-4-12-27-15-18)28-26-22(19)24(30-33-26)17-10-11-17/h1-4,6-8,12,14-15,17,21,23H,5,9-11,13H2,(H,29,31)
InChIKeyNJIULTHAKWVCII-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.81
Rot. Bonds6

About 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166183063) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166183063
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCO1)c1cc(-c2cccnc2)nc2onc(C3CC3)c12
InChIInChI=1S/C26H24N4O3/c31-25(29-23(21-9-5-13-32-21)16-6-2-1-3-7-16)19-14-20(18-8-4-12-27-15-18)28-26-22(19)24(30-33-26)17-10-11-17/h1-4,6-8,12,14-15,17,21,23H,5,9-11,13H2,(H,29,31)
InChIKeyNJIULTHAKWVCII-UHFFFAOYSA-N
XLogP4.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393903
6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965680
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119757405
methyl (2S)-2-[(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylacetate
CID 167915655
2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120627358
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
4-[[3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166194841
[oxolan-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105229176
4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 166192121
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166183063) is 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NC(c1ccccc1)C1CCCO1)c1cc(-c2cccnc2)nc2onc(C3CC3)c12.
What is the InChIKey of 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NJIULTHAKWVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(29-23(21-9-5-13-32-21)16-6-2-1-3-7-16)19-14-20(18-8-4-12-27-15-18)28-26-22(19)24(30-33-26)17-10-11-17/h1-4,6-8,12,14-15,17,21,23H,5,9-11,13H2,(H,29,31).
What are the key properties of 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[oxolan-2-yl(phenyl)methyl]-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166183063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).