(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H33N3O5S — CID 71115142

IUPAC(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)CC1
InChIInChI=1S/C24H33N3O5S/c1-23(8-9-23)32-22(28)26-10-6-19(7-11-26)24(2)15-18-14-20(25-16-21(18)31-24)17-4-12-27(13-5-17)33(3,29)30/h4,14,16,19H,5-13,15H2,1-3H3/t24-/m0/s1
InChIKeyBZQLRDJOVXCECA-DEOSSOPVSA-N
MW475.61 g/mol
LogP3.22
Rot. Bonds4

About (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71115142) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71115142
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)CC1
InChIInChI=1S/C24H33N3O5S/c1-23(8-9-23)32-22(28)26-10-6-19(7-11-26)24(2)15-18-14-20(25-16-21(18)31-24)17-4-12-27(13-5-17)33(3,29)30/h4,14,16,19H,5-13,15H2,1-3H3/t24-/m0/s1
InChIKeyBZQLRDJOVXCECA-DEOSSOPVSA-N
XLogP3.22
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736241
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 86694581
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
CID 86694587
4-[5-(3-Fluoro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57389308
tert-butyl 4-[5-[2-fluoro-4-(methylsulfonylmethyl)phenyl]-2-methyl-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
CID 57389309
(5R)-3-(2-fluoro-2-methylpropyl)-6-[[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 66837558
4-[5-(2-Fluoro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67990210
4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67990232
4-[5-(2-Trifluoromethyl-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67990242
Tert-butyl 4-[5-(4-amino-2-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
CID 67990243
Tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
CID 67990254
4-[5-(2-Fluoro-4-methanesulfonylmethyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67990256

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71115142) is (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC1(OC(=O)N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is BZQLRDJOVXCECA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-23(8-9-23)32-22(28)26-10-6-19(7-11-26)24(2)15-18-14-20(25-16-21(18)31-24)17-4-12-27(13-5-17)33(3,29)30/h4,14,16,19H,5-13,15H2,1-3H3/t24-/m0/s1.
What are the key properties of (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 475.61 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71115142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).