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

C24H27N5O3 — CID 44822035

IUPACN-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12
InChIInChI=1S/C24H27N5O3/c1-6-28(13-18-14-29(7-2)26-15(18)3)24(30)20-12-21(17-8-10-19(31-5)11-9-17)25-23-22(20)16(4)27-32-23/h8-12,14H,6-7,13H2,1-5H3
InChIKeyBTYDHCRPYWNSCB-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.39
Rot. Bonds7

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

N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822035) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822035
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(Cc1cn(CC)nc1C)C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12
InChIInChI=1S/C24H27N5O3/c1-6-28(13-18-14-29(7-2)26-15(18)3)24(30)20-12-21(17-8-10-19(31-5)11-9-17)25-23-22(20)16(4)27-32-23/h8-12,14H,6-7,13H2,1-5H3
InChIKeyBTYDHCRPYWNSCB-UHFFFAOYSA-N
XLogP4.39
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30125830
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
N-ethyl-3-methyl-6-(4-methylphenyl)-N-(2-methylprop-2-enyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52559714
N-ethyl-6-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134036791
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824211
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46694891
6-(1-ethylpyrazol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824201
[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 44821844
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824998
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44822035) is N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(Cc1cn(CC)nc1C)C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12.
What is the InChIKey of N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BTYDHCRPYWNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-6-28(13-18-14-29(7-2)26-15(18)3)24(30)20-12-21(17-8-10-19(31-5)11-9-17)25-23-22(20)16(4)27-32-23/h8-12,14H,6-7,13H2,1-5H3.
What are the key properties of N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).