3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H25N5O2 — CID 51855283

IUPAC3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1ccc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)cc1
InChIInChI=1S/C23H25N5O2/c1-5-6-16-7-9-17(10-8-16)14(2)25-22(29)19-11-20(18-12-24-28(4)13-18)26-23-21(19)15(3)27-30-23/h7-14H,5-6H2,1-4H3,(H,25,29)/t14-/m1/s1
InChIKeyUUVVZZAYXQYPDV-CQSZACIVSA-N
MW403.49 g/mol
LogP4.38
Rot. Bonds6

About 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51855283) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51855283
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1ccc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)cc1
InChIInChI=1S/C23H25N5O2/c1-5-6-16-7-9-17(10-8-16)14(2)25-22(29)19-11-20(18-12-24-28(4)13-18)26-23-21(19)15(3)27-30-23/h7-14H,5-6H2,1-4H3,(H,25,29)/t14-/m1/s1
InChIKeyUUVVZZAYXQYPDV-CQSZACIVSA-N
XLogP4.38
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51855283) is 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCc1ccc([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)cc1.
What is the InChIKey of 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UUVVZZAYXQYPDV-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-5-6-16-7-9-17(10-8-16)14(2)25-22(29)19-11-20(18-12-24-28(4)13-18)26-23-21(19)15(3)27-30-23/h7-14H,5-6H2,1-4H3,(H,25,29)/t14-/m1/s1.
What are the key properties of 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51855283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).