(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine

C25H33N5O3S — CID 71208355

IUPAC(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine
SMILESCCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1
InChIInChI=1S/C25H33N5O3S/c1-4-18-15-27-24(28-16-18)29-9-7-21(8-10-29)25(2)14-20-13-22(26-17-23(20)33-25)19-5-11-30(12-6-19)34(3,31)32/h5,13,15-17,21H,4,6-12,14H2,1-3H3/t25-/m0/s1
InChIKeyJCJOISPZNWNPER-VWLOTQADSA-N
MW483.64 g/mol
LogP3.09
Rot. Bonds5

About (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine

(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine (PubChem CID 71208355) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine
PubChem CID71208355
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine
SMILESCCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1
InChIInChI=1S/C25H33N5O3S/c1-4-18-15-27-24(28-16-18)29-9-7-21(8-10-29)25(2)14-20-13-22(26-17-23(20)33-25)19-5-11-30(12-6-19)34(3,31)32/h5,13,15-17,21H,4,6-12,14H2,1-3H3/t25-/m0/s1
InChIKeyJCJOISPZNWNPER-VWLOTQADSA-N
XLogP3.09
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine?
The IUPAC name of (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine (CID 71208355) is (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine?
The canonical SMILES for (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine is CCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1.
What is the InChIKey of (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine?
The InChIKey is JCJOISPZNWNPER-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-4-18-15-27-24(28-16-18)29-9-7-21(8-10-29)25(2)14-20-13-22(26-17-23(20)33-25)19-5-11-30(12-6-19)34(3,31)32/h5,13,15-17,21H,4,6-12,14H2,1-3H3/t25-/m0/s1.
What are the key properties of (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine?
(2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine has a molecular weight of 483.64 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3H-furo[2,3-c]pyridine is sourced from PubChem (CID 71208355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).