3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine

C26H33F2N5O2S — CID 11713313

IUPAC3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCC([C@@H](CCN2CCC(n3cnc4ccncc43)CC2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C26H33F2N5O2S/c1-36(34,35)32-12-3-19(4-13-32)24(20-14-21(27)16-22(28)15-20)7-11-31-9-5-23(6-10-31)33-18-30-25-2-8-29-17-26(25)33/h2,8,14-19,23-24H,3-7,9-13H2,1H3/t24-/m1/s1
InChIKeyQRMZFILSQLTOOV-XMMPIXPASA-N
MW517.65 g/mol
LogP4.19
Rot. Bonds7

About 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine

3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine (PubChem CID 11713313) has the molecular formula C26H33F2N5O2S and a molecular weight of 517.65 g/mol. Its IUPAC name is 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine
PubChem CID11713313
Molecular FormulaC26H33F2N5O2S
Molecular Weight517.65 g/mol
Exact Mass517.23
IUPAC Name3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)N1CCC([C@@H](CCN2CCC(n3cnc4ccncc43)CC2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C26H33F2N5O2S/c1-36(34,35)32-12-3-19(4-13-32)24(20-14-21(27)16-22(28)15-20)7-11-31-9-5-23(6-10-31)33-18-30-25-2-8-29-17-26(25)33/h2,8,14-19,23-24H,3-7,9-13H2,1H3/t24-/m1/s1
InChIKeyQRMZFILSQLTOOV-XMMPIXPASA-N
XLogP4.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine (CID 11713313) is 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine is CS(=O)(=O)N1CCC([C@@H](CCN2CCC(n3cnc4ccncc43)CC2)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine?
The InChIKey is QRMZFILSQLTOOV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33F2N5O2S/c1-36(34,35)32-12-3-19(4-13-32)24(20-14-21(27)16-22(28)15-20)7-11-31-9-5-23(6-10-31)33-18-30-25-2-8-29-17-26(25)33/h2,8,14-19,23-24H,3-7,9-13H2,1H3/t24-/m1/s1.
What are the key properties of 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine?
3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine has a molecular weight of 517.65 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 11713313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).