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

C24H28F3N5O3S — CID 71208866

IUPAC(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine
SMILESC[C@@]1(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)Cc2cc(C3=CCN(S(C)(=O)=O)CC3)ncc2O1
InChIInChI=1S/C24H28F3N5O3S/c1-23(18-5-7-31(8-6-18)22-29-13-19(14-30-22)24(25,26)27)12-17-11-20(28-15-21(17)35-23)16-3-9-32(10-4-16)36(2,33)34/h3,11,13-15,18H,4-10,12H2,1-2H3/t23-/m0/s1
InChIKeyADGJUTULKDDKNB-QHCPKHFHSA-N
MW523.58 g/mol
LogP3.55
Rot. Bonds4

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

(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine (PubChem CID 71208866) has the molecular formula C24H28F3N5O3S and a molecular weight of 523.58 g/mol. Its IUPAC name is (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine
PubChem CID71208866
Molecular FormulaC24H28F3N5O3S
Molecular Weight523.58 g/mol
Exact Mass523.19
IUPAC Name(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine
SMILESC[C@@]1(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)Cc2cc(C3=CCN(S(C)(=O)=O)CC3)ncc2O1
InChIInChI=1S/C24H28F3N5O3S/c1-23(18-5-7-31(8-6-18)22-29-13-19(14-30-22)24(25,26)27)12-17-11-20(28-15-21(17)35-23)16-3-9-32(10-4-16)36(2,33)34/h3,11,13-15,18H,4-10,12H2,1-2H3/t23-/m0/s1
InChIKeyADGJUTULKDDKNB-QHCPKHFHSA-N
XLogP3.55
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine?
The IUPAC name of (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine (CID 71208866) is (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine?
The canonical SMILES for (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine is C[C@@]1(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)Cc2cc(C3=CCN(S(C)(=O)=O)CC3)ncc2O1.
What is the InChIKey of (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine?
The InChIKey is ADGJUTULKDDKNB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28F3N5O3S/c1-23(18-5-7-31(8-6-18)22-29-13-19(14-30-22)24(25,26)27)12-17-11-20(28-15-21(17)35-23)16-3-9-32(10-4-16)36(2,33)34/h3,11,13-15,18H,4-10,12H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine?
(2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine has a molecular weight of 523.58 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3H-furo[2,3-c]pyridine is sourced from PubChem (CID 71208866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).