tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane

C25H38ClN5O3 — CID 143435682

IUPACtert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.Cc1nc2c(cc1Cl)C(C(C)(C)c1ncn(C)n1)OC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H32ClN5O3.C2H6/c1-14-16(24)12-15-17(26-14)23(8-10-29(11-9-23)20(30)32-21(2,3)4)31-18(15)22(5,6)19-25-13-28(7)27-19;1-2/h12-13,18H,8-11H2,1-7H3;1-2H3
InChIKeyCJCLMDDHFZHXMJ-UHFFFAOYSA-N
MW492.06 g/mol
LogP5.47
Rot. Bonds2

About tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane

tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane (PubChem CID 143435682) has the molecular formula C25H38ClN5O3 and a molecular weight of 492.06 g/mol. Its IUPAC name is tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane
PubChem CID143435682
Molecular FormulaC25H38ClN5O3
Molecular Weight492.06 g/mol
Exact Mass491.27
IUPAC Nametert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.Cc1nc2c(cc1Cl)C(C(C)(C)c1ncn(C)n1)OC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H32ClN5O3.C2H6/c1-14-16(24)12-15-17(26-14)23(8-10-29(11-9-23)20(30)32-21(2,3)4)31-18(15)22(5,6)19-25-13-28(7)27-19;1-2/h12-13,18H,8-11H2,1-7H3;1-2H3
InChIKeyCJCLMDDHFZHXMJ-UHFFFAOYSA-N
XLogP5.47
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.06
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-(2-cyanopropan-2-yl)-3-fluoro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate
CID 70915961
[(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
tert-butyl 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane;methanethiol;N-methylpropanamide
CID 143435633
tert-butyl (1S)-5-chloro-1-(2-cyanopropan-2-yl)-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 58026194
tert-butyl 2-(3-chloro-2-cyclopropylphenyl)-1-oxa-6-azaspiro[2.5]octane-6-carboxylate
CID 171831455
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 4-(3,4-dichlorophenyl)-4-formylpiperidine-1-carboxylate
CID 89112068
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl (7R)-3,7-dimethylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-1'-carboxylate
CID 172575359
tert-butyl 7-chloro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxylate
CID 58137248
tert-butyl 5-chloro-1-methanimidoylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 169137990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane?
The IUPAC name of tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane (CID 143435682) is tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane is CC.Cc1nc2c(cc1Cl)C(C(C)(C)c1ncn(C)n1)OC21CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane?
The InChIKey is CJCLMDDHFZHXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O3.C2H6/c1-14-16(24)12-15-17(26-14)23(8-10-29(11-9-23)20(30)32-21(2,3)4)31-18(15)22(5,6)19-25-13-28(7)27-19;1-2/h12-13,18H,8-11H2,1-7H3;1-2H3.
What are the key properties of tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane?
tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane has a molecular weight of 492.06 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-chloro-2-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate;ethane is sourced from PubChem (CID 143435682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).