(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

C24H29F3N4OS — CID 75229564

IUPAC(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1nc2c(s1)C1(CNC2)CNCC1C(=O)N1CCC(c2ccccc2)CC1CC(F)(F)F
InChIInChI=1S/C24H29F3N4OS/c1-15-30-20-12-29-14-23(21(20)33-15)13-28-11-19(23)22(32)31-8-7-17(16-5-3-2-4-6-16)9-18(31)10-24(25,26)27/h2-6,17-19,28-29H,7-14H2,1H3
InChIKeyWLVMMQFIAJBHEM-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.74
Rot. Bonds3

About (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 75229564) has the molecular formula C24H29F3N4OS and a molecular weight of 478.58 g/mol. Its IUPAC name is (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID75229564
Molecular FormulaC24H29F3N4OS
Molecular Weight478.58 g/mol
Exact Mass478.20
IUPAC Name(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1nc2c(s1)C1(CNC2)CNCC1C(=O)N1CCC(c2ccccc2)CC1CC(F)(F)F
InChIInChI=1S/C24H29F3N4OS/c1-15-30-20-12-29-14-23(21(20)33-15)13-28-11-19(23)22(32)31-8-7-17(16-5-3-2-4-6-16)9-18(31)10-24(25,26)27/h2-6,17-19,28-29H,7-14H2,1H3
InChIKeyWLVMMQFIAJBHEM-UHFFFAOYSA-N
XLogP3.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3'S,5S)-2-methylspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 46891931
[(2S,4R)-2-(4,4-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,5R,8S)-2,5-dimethylspiro[4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-d]azepine-8,4'-pyrrolidine]-3'-yl]methanone
CID 46893080
[(2S,4R)-2-(4,4-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,5R,8S)-2,5-dimethylspiro[4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-d]azepine-8,4'-pyrrolidine]-3'-yl]methanone dichloride
CID 46893079
[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]-[(3'S,6S)-spiro[8,9-dihydro-7H-[1,3]dioxolo[4,5-h]isoquinoline-6,4'-pyrrolidine]-3'-yl]methanone dichloride
CID 46892064
[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]-[(3'S,4S)-8-(2,2,2-trifluoroethoxy)spiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-3'-yl]methanone
CID 46893735
[(2S,4R)-2-(4,4-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methylspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone trichloride
CID 46893205
[(2S,4R)-4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]-[(3'S,4S)-8-(2,2,2-trifluoroethoxy)spiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-3'-yl]methanone;2,2,2-trifluoroacetic acid
CID 46893734
(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone
CID 76543529
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5S)-2-methoxyspiro[7,8-dihydro-6H-1,7-naphthyridine-5,4'-pyrrolidine]-3'-yl]methanone
CID 58548951
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(4S)-8-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
CID 58549677
[(3'S,8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
CID 58549231
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(5S)-2,8-dimethylspiro[6,7,8,9-tetrahydropyrido[2,3-d]azepine-5,4'-pyrrolidine]-3'-yl]methanone
CID 58549125

Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 75229564) is (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is Cc1nc2c(s1)C1(CNC2)CNCC1C(=O)N1CCC(c2ccccc2)CC1CC(F)(F)F.
What is the InChIKey of (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is WLVMMQFIAJBHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4OS/c1-15-30-20-12-29-14-23(21(20)33-15)13-28-11-19(23)22(32)31-8-7-17(16-5-3-2-4-6-16)9-18(31)10-24(25,26)27/h2-6,17-19,28-29H,7-14H2,1H3.
What are the key properties of (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
(2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 478.58 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-7,4'-pyrrolidine]-3'-yl)-[4-phenyl-2-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 75229564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).