imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane

C19H21F3N6OS — CID 139365207

IUPACimino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1
InChIKeyBAORANCHGLCRJK-LGHQJEIQSA-N
MW438.48 g/mol
LogP3.70
Rot. Bonds4

About imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane

imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane (PubChem CID 139365207) has the molecular formula C19H21F3N6OS and a molecular weight of 438.48 g/mol. Its IUPAC name is imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane
PubChem CID139365207
Molecular FormulaC19H21F3N6OS
Molecular Weight438.48 g/mol
Exact Mass438.14
IUPAC Nameimino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane
SMILES[H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1
InChIKeyBAORANCHGLCRJK-LGHQJEIQSA-N
XLogP3.70
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane with MolForge

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Related Compounds

CID 10133248
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CID 10070518
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CID 10339487
CID 10339487
CID 23727894
CID 23727894
CID 24887417
CID 24887417
CID 24888084
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CID 44444873
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CID 69809726
CID 69809726
CID 69811936
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CID 914229
CID 914229

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane (CID 139365207) is imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane is [H]N=S(C)(=O)C[C@H]1CCCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane?
The InChIKey is BAORANCHGLCRJK-LGHQJEIQSA-N. The full InChI is InChI=1S/C19H21F3N6OS/c1-30(23,29)12-13-3-2-8-27(10-13)17-6-7-24-18(26-17)15-9-25-16-5-4-14(11-28(15)16)19(20,21)22/h4-7,9,11,13,23H,2-3,8,10,12H2,1H3/t13-,30?/m0/s1.
What are the key properties of imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane?
imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane has a molecular weight of 438.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-λ6-sulfane is sourced from PubChem (CID 139365207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).