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

C28H25N5O3 — CID 44824721

IUPAC6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cnn(Cc5ccccc5C)c4)c23)cc1
InChIInChI=1S/C28H25N5O3/c1-17-5-3-4-6-20(17)15-33-16-21(14-29-33)30-27(34)23-13-24(18-7-8-18)31-28-25(23)26(32-36-28)19-9-11-22(35-2)12-10-19/h3-6,9-14,16,18H,7-8,15H2,1-2H3,(H,30,34)
InChIKeyDMMGZJIITSXXKC-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.58
Rot. Bonds7

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

6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824721) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824721
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cnn(Cc5ccccc5C)c4)c23)cc1
InChIInChI=1S/C28H25N5O3/c1-17-5-3-4-6-20(17)15-33-16-21(14-29-33)30-27(34)23-13-24(18-7-8-18)31-28-25(23)26(32-36-28)19-9-11-22(35-2)12-10-19/h3-6,9-14,16,18H,7-8,15H2,1-2H3,(H,30,34)
InChIKeyDMMGZJIITSXXKC-UHFFFAOYSA-N
XLogP5.58
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824825
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-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824945
6-cyclopropyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718327
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026048
1-(4-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19679584
6-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55756409
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
1-[(4-methoxyphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273060
6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824852
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824721) is 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cnn(Cc5ccccc5C)c4)c23)cc1.
What is the InChIKey of 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DMMGZJIITSXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-17-5-3-4-6-20(17)15-33-16-21(14-29-33)30-27(34)23-13-24(18-7-8-18)31-28-25(23)26(32-36-28)19-9-11-22(35-2)12-10-19/h3-6,9-14,16,18H,7-8,15H2,1-2H3,(H,30,34).
What are the key properties of 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).