N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

C24H30N4O5S — CID 163935597

IUPACN-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCCOc1ccc2c(c1)CC[C@]21Cc2nn(CCC3CC3)c(NC(=O)CS(C)(=O)=O)c2C(=O)N1
InChIInChI=1S/C24H30N4O5S/c1-3-33-17-6-7-18-16(12-17)8-10-24(18)13-19-21(23(30)26-24)22(25-20(29)14-34(2,31)32)28(27-19)11-9-15-4-5-15/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1
InChIKeyOGYTVSMZFAQTBU-DEOSSOPVSA-N
MW486.59 g/mol
LogP2.19
Rot. Bonds8

About N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (PubChem CID 163935597) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
PubChem CID163935597
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCCOc1ccc2c(c1)CC[C@]21Cc2nn(CCC3CC3)c(NC(=O)CS(C)(=O)=O)c2C(=O)N1
InChIInChI=1S/C24H30N4O5S/c1-3-33-17-6-7-18-16(12-17)8-10-24(18)13-19-21(23(30)26-24)22(25-20(29)14-34(2,31)32)28(27-19)11-9-15-4-5-15/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1
InChIKeyOGYTVSMZFAQTBU-DEOSSOPVSA-N
XLogP2.19
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (CID 163935597) is N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is CCOc1ccc2c(c1)CC[C@]21Cc2nn(CCC3CC3)c(NC(=O)CS(C)(=O)=O)c2C(=O)N1.
What is the InChIKey of N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The InChIKey is OGYTVSMZFAQTBU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-3-33-17-6-7-18-16(12-17)8-10-24(18)13-19-21(23(30)26-24)22(25-20(29)14-34(2,31)32)28(27-19)11-9-15-4-5-15/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,25,29)(H,26,30)/t24-/m0/s1.
What are the key properties of N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide has a molecular weight of 486.59 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2'-(2-cyclopropylethyl)-6-ethoxy-4'-oxospiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 163935597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).