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

C21H21N5O3 — CID 44824754

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(C)nc3onc(-c4ccc(OC)cc4)c23)cn1
InChIInChI=1S/C21H21N5O3/c1-4-26-12-14(11-23-26)10-22-20(27)17-9-13(2)24-21-18(17)19(25-29-21)15-5-7-16(28-3)8-6-15/h5-9,11-12H,4,10H2,1-3H3,(H,22,27)
InChIKeyRYOKGDSPODPXSA-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.35
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824754) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824754
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(C)nc3onc(-c4ccc(OC)cc4)c23)cn1
InChIInChI=1S/C21H21N5O3/c1-4-26-12-14(11-23-26)10-22-20(27)17-9-13(2)24-21-18(17)19(25-29-21)15-5-7-16(28-3)8-6-15/h5-9,11-12H,4,10H2,1-3H3,(H,22,27)
InChIKeyRYOKGDSPODPXSA-UHFFFAOYSA-N
XLogP3.35
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824945
N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824402
3-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824858
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-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315320
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821674
3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821389
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
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
N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823872
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51852893

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824754) is N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(CNC(=O)c2cc(C)nc3onc(-c4ccc(OC)cc4)c23)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RYOKGDSPODPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-4-26-12-14(11-23-26)10-22-20(27)17-9-13(2)24-21-18(17)19(25-29-21)15-5-7-16(28-3)8-6-15/h5-9,11-12H,4,10H2,1-3H3,(H,22,27).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).