(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

C23H23ClN4O3S — CID 71217160

IUPAC(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(Cl)cn4)CC2)C3)cc1
InChIInChI=1S/C23H23ClN4O3S/c1-32(29,30)19-4-2-15(3-5-19)20-10-17-11-21(31-22(17)14-25-20)16-6-8-28(9-7-16)23-26-12-18(24)13-27-23/h2-5,10,12-14,16,21H,6-9,11H2,1H3/t21-/m1/s1
InChIKeyYBWNZFIJGNWIKB-OAQYLSRUSA-N
MW470.98 g/mol
LogP3.82
Rot. Bonds4

About (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71217160) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71217160
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC Name(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(Cl)cn4)CC2)C3)cc1
InChIInChI=1S/C23H23ClN4O3S/c1-32(29,30)19-4-2-15(3-5-19)20-10-17-11-21(31-22(17)14-25-20)16-6-8-28(9-7-16)23-26-12-18(24)13-27-23/h2-5,10,12-14,16,21H,6-9,11H2,1H3/t21-/m1/s1
InChIKeyYBWNZFIJGNWIKB-OAQYLSRUSA-N
XLogP3.82
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71598836
5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine
CID 141343395
5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
CID 71598649
tert-butyl 4-[5-(4-ethylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
CID 57389311
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71455832
5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
CID 67973749
4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylic acid
CID 123473167
tert-butyl 4-[5-[4-(aminomethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
CID 67990233
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 131984580
N'-hydroxy-4-[5-(4-methylsulfonylcyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboximidamide
CID 172933315
2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
CID 54589230
5-chloro-2-[4-[[2-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]methyl]piperidin-1-yl]pyrimidine
CID 66935168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71217160) is (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)c1ccc(-c2cc3c(cn2)O[C@@H](C2CCN(c4ncc(Cl)cn4)CC2)C3)cc1.
What is the InChIKey of (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is YBWNZFIJGNWIKB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-32(29,30)19-4-2-15(3-5-19)20-10-17-11-21(31-22(17)14-25-20)16-6-8-28(9-7-16)23-26-12-18(24)13-27-23/h2-5,10,12-14,16,21H,6-9,11H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 470.98 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71217160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).