6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H19N5O2 — CID 171315551

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N(C)C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C20H19N5O2/c1-12-15(11-25(4)22-12)16-10-14(20(26)24(2)3)17-18(23-27-19(17)21-16)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyZZABKKLHPYQPFE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds3

About 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315551) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315551
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N(C)C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C20H19N5O2/c1-12-15(11-25(4)22-12)16-10-14(20(26)24(2)3)17-18(23-27-19(17)21-16)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyZZABKKLHPYQPFE-UHFFFAOYSA-N
XLogP3.30
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315551) is 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)N(C)C)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZZABKKLHPYQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-15(11-25(4)22-12)16-10-14(20(26)24(2)3)17-18(23-27-19(17)21-16)13-8-6-5-7-9-13/h5-11H,1-4H3.
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).