[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C22H22N4O3 — CID 43067948

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1cc(C)n(-c2ccc(COC(=O)c3cnc4onc(C(C)C)c4c3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-13(2)20-19-10-17(11-23-21(19)29-25-20)22(27)28-12-16-5-7-18(8-6-16)26-15(4)9-14(3)24-26/h5-11,13H,12H2,1-4H3
InChIKeyLQNNDRAUNOWKIE-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.51
Rot. Bonds5

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 43067948) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID43067948
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1cc(C)n(-c2ccc(COC(=O)c3cnc4onc(C(C)C)c4c3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-13(2)20-19-10-17(11-23-21(19)29-25-20)22(27)28-12-16-5-7-18(8-6-16)26-15(4)9-14(3)24-26/h5-11,13H,12H2,1-4H3
InChIKeyLQNNDRAUNOWKIE-UHFFFAOYSA-N
XLogP4.51
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 24649755
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 16569914
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 55509358
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55647434
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
[2-(benzylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588629
(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 47398743
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 43067948) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is Cc1cc(C)n(-c2ccc(COC(=O)c3cnc4onc(C(C)C)c4c3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is LQNNDRAUNOWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13(2)20-19-10-17(11-23-21(19)29-25-20)22(27)28-12-16-5-7-18(8-6-16)26-15(4)9-14(3)24-26/h5-11,13H,12H2,1-4H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 43067948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).