3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H20FN5O2 — CID 44821389

IUPAC3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C21H20FN5O2/c1-11-9-16(20(28)23-10-17-12(2)25-27(4)13(17)3)18-19(26-29-21(18)24-11)14-5-7-15(22)8-6-14/h5-9H,10H2,1-4H3,(H,23,28)
InChIKeyMHRLDVMCZQWHEC-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.62
Rot. Bonds4

About 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821389) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821389
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C21H20FN5O2/c1-11-9-16(20(28)23-10-17-12(2)25-27(4)13(17)3)18-19(26-29-21(18)24-11)14-5-7-15(22)8-6-14/h5-9H,10H2,1-4H3,(H,23,28)
InChIKeyMHRLDVMCZQWHEC-UHFFFAOYSA-N
XLogP3.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824316
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51852870
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824800
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821674
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824754
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 71998677
N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824402
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51852893
N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740474

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821389) is 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MHRLDVMCZQWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-11-9-16(20(28)23-10-17-12(2)25-27(4)13(17)3)18-19(26-29-21(18)24-11)14-5-7-15(22)8-6-14/h5-9H,10H2,1-4H3,(H,23,28).
What are the key properties of 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).