(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide

C30H33F3N6OS2 — CID 151580906

IUPAC(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C30H33F3N6OS2/c1-19-23(41-22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-42(40)28(2,3)4/h5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3/t24-,42-/m1/s1
InChIKeyQGLSAOMXNYUTHK-YWGOPAGJSA-N
MW614.76 g/mol
LogP6.54
Rot. Bonds5

About (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide (PubChem CID 151580906) has the molecular formula C30H33F3N6OS2 and a molecular weight of 614.76 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide
PubChem CID151580906
Molecular FormulaC30H33F3N6OS2
Molecular Weight614.76 g/mol
Exact Mass614.21
IUPAC Name(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C30H33F3N6OS2/c1-19-23(41-22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-42(40)28(2,3)4/h5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3/t24-,42-/m1/s1
InChIKeyQGLSAOMXNYUTHK-YWGOPAGJSA-N
XLogP6.54
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.76
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide with MolForge

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Related Compounds

(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
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
US11179397, Example 53
CID 146466864
US11179397, Example 51
CID 146466920
US11179397, Example 17
CID 146466996
US11179397, Example 50
CID 146466998
US11179397, Example 78
CID 139427658
US11179397, Example 145
CID 146466861
US11179397, Example 80
CID 146466871
US11179397, Example 144
CID 146466874
US11179397, Example 139
CID 146466881

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide (CID 151580906) is (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Sc1cccnc1C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide?
The InChIKey is QGLSAOMXNYUTHK-YWGOPAGJSA-N. The full InChI is InChI=1S/C30H33F3N6OS2/c1-19-23(41-22-10-7-13-34-25(22)30(31,32)33)26-35-14-17-39(26)27(36-19)38-15-11-29(12-16-38)18-20-8-5-6-9-21(20)24(29)37-42(40)28(2,3)4/h5-10,13-14,17,24,37H,11-12,15-16,18H2,1-4H3/t24-,42-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide has a molecular weight of 614.76 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-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]propane-2-sulfinamide is sourced from PubChem (CID 151580906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).