[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol

C19H25ClN4O3 — CID 163664730

IUPAC[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol
SMILESCc1nnc(C(C)(C)[C@H]2OC3(CCN(CO)CC3)c3nc(C)c(Cl)cc32)o1
InChIInChI=1S/C19H25ClN4O3/c1-11-14(20)9-13-15(21-11)19(5-7-24(10-25)8-6-19)27-16(13)18(3,4)17-23-22-12(2)26-17/h9,16,25H,5-8,10H2,1-4H3/t16-/m0/s1
InChIKeyIXKJMYGUGLNRLV-INIZCTEOSA-N
MW392.89 g/mol
LogP3.02
Rot. Bonds3

About [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol

[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol (PubChem CID 163664730) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol
PubChem CID163664730
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol
SMILESCc1nnc(C(C)(C)[C@H]2OC3(CCN(CO)CC3)c3nc(C)c(Cl)cc32)o1
InChIInChI=1S/C19H25ClN4O3/c1-11-14(20)9-13-15(21-11)19(5-7-24(10-25)8-6-19)27-16(13)18(3,4)17-23-22-12(2)26-17/h9,16,25H,5-8,10H2,1-4H3/t16-/m0/s1
InChIKeyIXKJMYGUGLNRLV-INIZCTEOSA-N
XLogP3.02
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol?
The IUPAC name of [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol (CID 163664730) is [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol.
What is the SMILES notation for [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol?
The canonical SMILES for [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol is Cc1nnc(C(C)(C)[C@H]2OC3(CCN(CO)CC3)c3nc(C)c(Cl)cc32)o1.
What is the InChIKey of [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol?
The InChIKey is IXKJMYGUGLNRLV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-11-14(20)9-13-15(21-11)19(5-7-24(10-25)8-6-19)27-16(13)18(3,4)17-23-22-12(2)26-17/h9,16,25H,5-8,10H2,1-4H3/t16-/m0/s1.
What are the key properties of [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol?
[(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol has a molecular weight of 392.89 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-chloro-2-methyl-5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanol is sourced from PubChem (CID 163664730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).