1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one

C42H41N7O3 — CID 118525951

IUPAC1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-n3cc(-c4ccncc4)cn3)cc21.Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C23H23N3O2.C19H18N4O/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4;1-19(2)16-5-4-15(10-17(16)22(3)18(19)24)23-12-14(11-21-23)13-6-8-20-9-7-13/h5,8-12,17H,6-7H2,1-4H3;4-12H,1-3H3
InChIKeyOJHFVGPVPAAFJL-UHFFFAOYSA-N
MW691.84 g/mol
LogP8.00
Rot. Bonds5

About 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one

1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one (PubChem CID 118525951) has the molecular formula C42H41N7O3 and a molecular weight of 691.84 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one
PubChem CID118525951
Molecular FormulaC42H41N7O3
Molecular Weight691.84 g/mol
Exact Mass691.33
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-n3cc(-c4ccncc4)cn3)cc21.Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C23H23N3O2.C19H18N4O/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4;1-19(2)16-5-4-15(10-17(16)22(3)18(19)24)23-12-14(11-21-23)13-6-8-20-9-7-13/h5,8-12,17H,6-7H2,1-4H3;4-12H,1-3H3
InChIKeyOJHFVGPVPAAFJL-UHFFFAOYSA-N
XLogP8.00
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one (CID 118525951) is 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one is CN1C(=O)C(C)(C)c2ccc(-n3cc(-c4ccncc4)cn3)cc21.Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one?
The InChIKey is OJHFVGPVPAAFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C19H18N4O/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4;1-19(2)16-5-4-15(10-17(16)22(3)18(19)24)23-12-14(11-21-23)13-6-8-20-9-7-13/h5,8-12,17H,6-7H2,1-4H3;4-12H,1-3H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one has a molecular weight of 691.84 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one is sourced from PubChem (CID 118525951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).