3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one

C23H24N4O3S — CID 129104360

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(S(=O)(=O)C(C)C)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N4O3S/c1-14(2)31(29,30)19-9-18(12-24-13-19)27-21-8-16(17-10-25-15(3)26-11-17)6-7-20(21)23(4,5)22(27)28/h6-14H,1-5H3
InChIKeyFWAJTMPWOZCKOD-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.99
Rot. Bonds4

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one (PubChem CID 129104360) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one
PubChem CID129104360
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(S(=O)(=O)C(C)C)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N4O3S/c1-14(2)31(29,30)19-9-18(12-24-13-19)27-21-8-16(17-10-25-15(3)26-11-17)6-7-20(21)23(4,5)22(27)28/h6-14H,1-5H3
InChIKeyFWAJTMPWOZCKOD-UHFFFAOYSA-N
XLogP3.99
TPSA93.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one (CID 129104360) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(S(=O)(=O)C(C)C)c2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one?
The InChIKey is FWAJTMPWOZCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14(2)31(29,30)19-9-18(12-24-13-19)27-21-8-16(17-10-25-15(3)26-11-17)6-7-20(21)23(4,5)22(27)28/h6-14H,1-5H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one has a molecular weight of 436.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-propan-2-ylsulfonyl-3-pyridinyl)indol-2-one is sourced from PubChem (CID 129104360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).