4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

About 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 162033342) has the molecular formula C28H30N4O5S and a molecular weight of 534.64 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name	4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID	162033342
Molecular Formula	C28H30N4O5S
Molecular Weight	534.64 g/mol
Exact Mass	534.19
IUPAC Name	4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILES	C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(OC)cc(C)[nH]c4=O)cc(-c4cn[nH]c4)cc32)CC1
InChI	InChI=1S/C28H30N4O5S/c1-5-8-28(9-10-28)38(35,36)32-16-17(2)26-22(12-19(13-23(26)32)20-14-29-30-15-20)24(33)7-6-21-25(37-4)11-18(3)31-27(21)34/h5,11-16H,1,6-10H2,2-4H3,(H,29,30)(H,31,34)
InChIKey	YWICMWOWKORZGN-UHFFFAOYSA-N
XLogP	4.45
TPSA	126.91 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 162033342) is 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)CCc4c(OC)cc(C)[nH]c4=O)cc(-c4cn[nH]c4)cc32)CC1.

What is the InChIKey of 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is YWICMWOWKORZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5S/c1-5-8-28(9-10-28)38(35,36)32-16-17(2)26-22(12-19(13-23(26)32)20-14-29-30-15-20)24(33)7-6-21-25(37-4)11-18(3)31-27(21)34/h5,11-16H,1,6-10H2,2-4H3,(H,29,30)(H,31,34).

What are the key properties of 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?

4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 534.64 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 162033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).