N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C29H32F3N7OS2 — CID 164743640

IUPACN-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)c3nccn13)CC2
InChIInChI=1S/C29H32F3N7OS2/c1-27(2,3)42(40)37-22-19-8-5-4-7-18(19)17-28(22)10-14-38(15-11-28)26-36-24(33)21(25-35-13-16-39(25)26)41-20-9-6-12-34-23(20)29(30,31)32/h4-9,12-13,16,22,37H,10-11,14-15,17,33H2,1-3H3/t22-,42?/m1/s1
InChIKeySYZDYNUORCXKHC-WYZAXHBVSA-N
MW615.75 g/mol
LogP5.81
Rot. Bonds5

About N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 164743640) has the molecular formula C29H32F3N7OS2 and a molecular weight of 615.75 g/mol. Its IUPAC name is N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID164743640
Molecular FormulaC29H32F3N7OS2
Molecular Weight615.75 g/mol
Exact Mass615.21
IUPAC NameN-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)c3nccn13)CC2
InChIInChI=1S/C29H32F3N7OS2/c1-27(2,3)42(40)37-22-19-8-5-4-7-18(19)17-28(22)10-14-38(15-11-28)26-36-24(33)21(25-35-13-16-39(25)26)41-20-9-6-12-34-23(20)29(30,31)32/h4-9,12-13,16,22,37H,10-11,14-15,17,33H2,1-3H3/t22-,42?/m1/s1
InChIKeySYZDYNUORCXKHC-WYZAXHBVSA-N
XLogP5.81
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.75
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide 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 N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 164743640) is N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)c3nccn13)CC2.
What is the InChIKey of N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is SYZDYNUORCXKHC-WYZAXHBVSA-N. The full InChI is InChI=1S/C29H32F3N7OS2/c1-27(2,3)42(40)37-22-19-8-5-4-7-18(19)17-28(22)10-14-38(15-11-28)26-36-24(33)21(25-35-13-16-39(25)26)41-20-9-6-12-34-23(20)29(30,31)32/h4-9,12-13,16,22,37H,10-11,14-15,17,33H2,1-3H3/t22-,42?/m1/s1.
What are the key properties of N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 615.75 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164743640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).