1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide

C24H27N3O3S — CID 159902944

IUPAC1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)NC2CC=C(c3cc(CC(=O)C4CC4)nc4c3C=CC4)CC2)CC1
InChIInChI=1S/C24H27N3O3S/c25-14-24(10-11-24)15-31(29,30)27-18-8-6-16(7-9-18)21-12-19(13-23(28)17-4-5-17)26-22-3-1-2-20(21)22/h1-2,6,12,17-18,27H,3-5,7-11,13,15H2
InChIKeyNWESBCOUCYTGEX-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.33
Rot. Bonds8

About 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide

1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide (PubChem CID 159902944) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide
PubChem CID159902944
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)NC2CC=C(c3cc(CC(=O)C4CC4)nc4c3C=CC4)CC2)CC1
InChIInChI=1S/C24H27N3O3S/c25-14-24(10-11-24)15-31(29,30)27-18-8-6-16(7-9-18)21-12-19(13-23(28)17-4-5-17)26-22-3-1-2-20(21)22/h1-2,6,12,17-18,27H,3-5,7-11,13,15H2
InChIKeyNWESBCOUCYTGEX-UHFFFAOYSA-N
XLogP3.33
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide (CID 159902944) is 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide is N#CC1(CS(=O)(=O)NC2CC=C(c3cc(CC(=O)C4CC4)nc4c3C=CC4)CC2)CC1.
What is the InChIKey of 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide?
The InChIKey is NWESBCOUCYTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c25-14-24(10-11-24)15-31(29,30)27-18-8-6-16(7-9-18)21-12-19(13-23(28)17-4-5-17)26-22-3-1-2-20(21)22/h1-2,6,12,17-18,27H,3-5,7-11,13,15H2.
What are the key properties of 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide?
1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide has a molecular weight of 437.57 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropyl)-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]cyclohex-3-en-1-yl]methanesulfonamide is sourced from PubChem (CID 159902944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).