4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole

C21H26N4O4S — CID 110197656

IUPAC4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H26N4O4S/c1-13-19(14(2)29-24-13)30(26,27)25-10-7-21(8-11-25)20-16(6-9-22-21)17-12-15(28-3)4-5-18(17)23-20/h4-5,12,22-23H,6-11H2,1-3H3
InChIKeyUOCJGZRRFKYJQG-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.61
Rot. Bonds3

About 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole

4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 110197656) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID110197656
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H26N4O4S/c1-13-19(14(2)29-24-13)30(26,27)25-10-7-21(8-11-25)20-16(6-9-22-21)17-12-15(28-3)4-5-18(17)23-20/h4-5,12,22-23H,6-11H2,1-3H3
InChIKeyUOCJGZRRFKYJQG-UHFFFAOYSA-N
XLogP2.61
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole 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

4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 113090263
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197644
1'-(furan-2-ylmethyl)-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162661075
4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 39668146
1'-[(3-chloro-2,6-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162670826
6-methoxy-1'-[2-(3-methoxyphenoxy)ethyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 11429696
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42065050
(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104210
1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 162650712
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 51307617

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole (CID 110197656) is 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole is COc1ccc2[nH]c3c(c2c1)CCNC31CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is UOCJGZRRFKYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-13-19(14(2)29-24-13)30(26,27)25-10-7-21(8-11-25)20-16(6-9-22-21)17-12-15(28-3)4-5-18(17)23-20/h4-5,12,22-23H,6-11H2,1-3H3.
What are the key properties of 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 430.53 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110197656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).