N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide

C24H26N4O3S — CID 66730959

IUPACN-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide
SMILESCC(C)Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C24H26N4O3S/c1-15(2)31-18-6-9-20-21(12-25)24(28(23(20)11-18)14-16-3-4-16)22-10-5-17(13-26-22)27-32(29,30)19-7-8-19/h5-6,9-11,13,15-16,19,27H,3-4,7-8,14H2,1-2H3
InChIKeyNMLZXFGTKWXXSF-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.68
Rot. Bonds8

About N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide

N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 66730959) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide
PubChem CID66730959
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide
SMILESCC(C)Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C24H26N4O3S/c1-15(2)31-18-6-9-20-21(12-25)24(28(23(20)11-18)14-16-3-4-16)22-10-5-17(13-26-22)27-32(29,30)19-7-8-19/h5-6,9-11,13,15-16,19,27H,3-4,7-8,14H2,1-2H3
InChIKeyNMLZXFGTKWXXSF-UHFFFAOYSA-N
XLogP4.68
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide (CID 66730959) is N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide is CC(C)Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cn3)n(CC3CC3)c2c1.
What is the InChIKey of N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is NMLZXFGTKWXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15(2)31-18-6-9-20-21(12-25)24(28(23(20)11-18)14-16-3-4-16)22-10-5-17(13-26-22)27-32(29,30)19-7-8-19/h5-6,9-11,13,15-16,19,27H,3-4,7-8,14H2,1-2H3.
What are the key properties of N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide?
N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-cyano-1-(cyclopropylmethyl)-6-propan-2-yloxyindol-2-yl]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 66730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).