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

C31H33F3N6OS2 — CID 163887442

IUPAC(S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3C=N[S@@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C31H33F3N6OS2/c1-20-25(42-24-10-7-13-35-26(24)31(32,33)34)27-36-14-17-40(27)28(38-20)39-15-11-30(12-16-39)18-21-8-5-6-9-22(21)23(30)19-37-43(41)29(2,3)4/h5-10,13-14,17,19,23H,11-12,15-16,18H2,1-4H3/t23?,43-/m0/s1
InChIKeyPYQADNMGWJVIQM-VEYNPAEBSA-N
MW626.77 g/mol
LogP7.06
Rot. Bonds5

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

(S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide (PubChem CID 163887442) has the molecular formula C31H33F3N6OS2 and a molecular weight of 626.77 g/mol. Its IUPAC name is (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide
PubChem CID163887442
Molecular FormulaC31H33F3N6OS2
Molecular Weight626.77 g/mol
Exact Mass626.21
IUPAC Name(S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3C=N[S@@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C31H33F3N6OS2/c1-20-25(42-24-10-7-13-35-26(24)31(32,33)34)27-36-14-17-40(27)28(38-20)39-15-11-30(12-16-39)18-21-8-5-6-9-22(21)23(30)19-37-43(41)29(2,3)4/h5-10,13-14,17,19,23H,11-12,15-16,18H2,1-4H3/t23?,43-/m0/s1
InChIKeyPYQADNMGWJVIQM-VEYNPAEBSA-N
XLogP7.06
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.77
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide with MolForge

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Related Compounds

4-[7-[1-(3,3-Dimethylbutyl)piperidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 24887644
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155796647
7-(4-Methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164625898
imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-lambda6-sulfane
CID 139365207
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
US11179397, Example 51
CID 146466920
US11179397, Example 17
CID 146466996
US11179397, Example 50
CID 146466998
US11179397, Example 145
CID 146466861
US11179397, Example 144
CID 146466874
US11179397, Example 139
CID 146466881

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide (CID 163887442) is (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3C=N[S@@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide?
The InChIKey is PYQADNMGWJVIQM-VEYNPAEBSA-N. The full InChI is InChI=1S/C31H33F3N6OS2/c1-20-25(42-24-10-7-13-35-26(24)31(32,33)34)27-36-14-17-40(27)28(38-20)39-15-11-30(12-16-39)18-21-8-5-6-9-22(21)23(30)19-37-43(41)29(2,3)4/h5-10,13-14,17,19,23H,11-12,15-16,18H2,1-4H3/t23?,43-/m0/s1.
What are the key properties of (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide?
(S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide has a molecular weight of 626.77 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[[1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 163887442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).