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

C25H20ClN5O3 — CID 44823872

IUPACN-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(-n4cc(Cl)cn4)cc3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H20ClN5O3/c1-15-23-21(11-22(29-25(23)34-30-15)17-5-9-20(33-2)10-6-17)24(32)27-12-16-3-7-19(8-4-16)31-14-18(26)13-28-31/h3-11,13-14H,12H2,1-2H3,(H,27,32)
InChIKeyQPIGTCZQDMMANQ-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.98
Rot. Bonds6

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

N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44823872) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44823872
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC NameN-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(-n4cc(Cl)cn4)cc3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H20ClN5O3/c1-15-23-21(11-22(29-25(23)34-30-15)17-5-9-20(33-2)10-6-17)24(32)27-12-16-3-7-19(8-4-16)31-14-18(26)13-28-31/h3-11,13-14H,12H2,1-2H3,(H,27,32)
InChIKeyQPIGTCZQDMMANQ-UHFFFAOYSA-N
XLogP4.98
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
N-(1,2-benzoxazol-3-ylmethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 139011927
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315320
2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
CID 86968645
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824754
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44821884
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39985346

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44823872) is N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(-n4cc(Cl)cn4)cc3)c3c(C)noc3n2)cc1.
What is the InChIKey of N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QPIGTCZQDMMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c1-15-23-21(11-22(29-25(23)34-30-15)17-5-9-20(33-2)10-6-17)24(32)27-12-16-3-7-19(8-4-16)31-14-18(26)13-28-31/h3-11,13-14H,12H2,1-2H3,(H,27,32).
What are the key properties of N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).