5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde

C19H20ClN3O2S — CID 164610275

IUPAC5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)sc1C=O
InChIInChI=1S/C19H20ClN3O2S/c1-12-8-15(26-16(12)11-24)13-9-21-10-14(20)17(13)23-6-3-19(4-7-23)2-5-22-18(19)25/h8-11H,2-7H2,1H3,(H,22,25)
InChIKeyVDWUISJUKGFLEU-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.69
Rot. Bonds3

About 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde

5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde (PubChem CID 164610275) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
PubChem CID164610275
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)sc1C=O
InChIInChI=1S/C19H20ClN3O2S/c1-12-8-15(26-16(12)11-24)13-9-21-10-14(20)17(13)23-6-3-19(4-7-23)2-5-22-18(19)25/h8-11H,2-7H2,1H3,(H,22,25)
InChIKeyVDWUISJUKGFLEU-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde 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

8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164627305
4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
CID 164625693
8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164626240
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
8-[3-chloro-5-(1H-indol-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162677311
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407974
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118450446
(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate
CID 159321515
2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal
CID 86709537
8-(6-cyclopropyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 167839927
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde?
The IUPAC name of 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde (CID 164610275) is 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde is Cc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)sc1C=O.
What is the InChIKey of 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde?
The InChIKey is VDWUISJUKGFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-12-8-15(26-16(12)11-24)13-9-21-10-14(20)17(13)23-6-3-19(4-7-23)2-5-22-18(19)25/h8-11H,2-7H2,1H3,(H,22,25).
What are the key properties of 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde?
5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde has a molecular weight of 389.91 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 164610275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).