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

C43H40N6O3S — CID 118526049

IUPAC1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nc(-c4cccnc4)co3)ccc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)s2)ccn1
InChIInChI=1S/C22H21N3OS.C21H19N3O2/c1-13-10-15(8-9-23-13)20-24-12-19(27-20)14-4-7-17-18(11-14)25(16-5-6-16)21(26)22(17,2)3;1-21(2)16-8-5-13(10-18(16)24(20(21)25)15-6-7-15)19-23-17(12-26-19)14-4-3-9-22-11-14/h4,7-12,16H,5-6H2,1-3H3;3-5,8-12,15H,6-7H2,1-2H3
InChIKeySGBUUQZEZHDEFH-UHFFFAOYSA-N
MW720.90 g/mol
LogP9.16
Rot. Bonds6

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

1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one (PubChem CID 118526049) has the molecular formula C43H40N6O3S and a molecular weight of 720.90 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one
PubChem CID118526049
Molecular FormulaC43H40N6O3S
Molecular Weight720.90 g/mol
Exact Mass720.29
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nc(-c4cccnc4)co3)ccc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)s2)ccn1
InChIInChI=1S/C22H21N3OS.C21H19N3O2/c1-13-10-15(8-9-23-13)20-24-12-19(27-20)14-4-7-17-18(11-14)25(16-5-6-16)21(26)22(17,2)3;1-21(2)16-8-5-13(10-18(16)24(20(21)25)15-6-7-15)19-23-17(12-26-19)14-4-3-9-22-11-14/h4,7-12,16H,5-6H2,1-3H3;3-5,8-12,15H,6-7H2,1-2H3
InChIKeySGBUUQZEZHDEFH-UHFFFAOYSA-N
XLogP9.16
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one (CID 118526049) is 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one is CC1(C)C(=O)N(C2CC2)c2cc(-c3nc(-c4cccnc4)co3)ccc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)s2)ccn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one?
The InChIKey is SGBUUQZEZHDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS.C21H19N3O2/c1-13-10-15(8-9-23-13)20-24-12-19(27-20)14-4-7-17-18(11-14)25(16-5-6-16)21(26)22(17,2)3;1-21(2)16-8-5-13(10-18(16)24(20(21)25)15-6-7-15)19-23-17(12-26-19)14-4-3-9-22-11-14/h4,7-12,16H,5-6H2,1-3H3;3-5,8-12,15H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one has a molecular weight of 720.90 g/mol, XLogP of 9.16, 6 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-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one is sourced from PubChem (CID 118526049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).