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

C24H25N5O3 — CID 44824724

IUPAC6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NC(C)Cn4ccc(C)n4)c23)c1
InChIInChI=1S/C24H25N5O3/c1-14-9-10-29(27-14)13-15(2)25-23(30)19-12-20(16-7-8-16)26-24-21(19)22(28-32-24)17-5-4-6-18(11-17)31-3/h4-6,9-12,15-16H,7-8,13H2,1-3H3,(H,25,30)
InChIKeyCDTYEPKMLTYOMP-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.10
Rot. Bonds7

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

6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824724) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824724
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NC(C)Cn4ccc(C)n4)c23)c1
InChIInChI=1S/C24H25N5O3/c1-14-9-10-29(27-14)13-15(2)25-23(30)19-12-20(16-7-8-16)26-24-21(19)22(28-32-24)17-5-4-6-18(11-17)31-3/h4-6,9-12,15-16H,7-8,13H2,1-3H3,(H,25,30)
InChIKeyCDTYEPKMLTYOMP-UHFFFAOYSA-N
XLogP4.10
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824852
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-1-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822762
methyl (2S)-2-[(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylacetate
CID 167915655
6-(4-methoxyphenyl)-1,3-dimethyl-N-[(2R)-1-(3-methylpyrazol-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51853045
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393903
6-cyclopropyl-N-[2-(3-methoxyphenoxy)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46423403
6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824945
6-cyclopropyl-3-(4-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824721
6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393896
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824724) is 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NC(C)Cn4ccc(C)n4)c23)c1.
What is the InChIKey of 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CDTYEPKMLTYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-9-10-29(27-14)13-15(2)25-23(30)19-12-20(16-7-8-16)26-24-21(19)22(28-32-24)17-5-4-6-18(11-17)31-3/h4-6,9-12,15-16H,7-8,13H2,1-3H3,(H,25,30).
What are the key properties of 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).