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

C18H18ClN3O2S — CID 164625693

IUPAC4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)cs1
InChIInChI=1S/C18H18ClN3O2S/c19-15-9-20-8-14(12-7-13(10-23)25-11-12)16(15)22-5-2-18(3-6-22)1-4-21-17(18)24/h7-11H,1-6H2,(H,21,24)
InChIKeyXLZUYVNVCFYXSR-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.38
Rot. Bonds3

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

4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde (PubChem CID 164625693) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
PubChem CID164625693
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)cs1
InChIInChI=1S/C18H18ClN3O2S/c19-15-9-20-8-14(12-7-13(10-23)25-11-12)16(15)22-5-2-18(3-6-22)1-4-21-17(18)24/h7-11H,1-6H2,(H,21,24)
InChIKeyXLZUYVNVCFYXSR-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
CID 164610275
8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164627305
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-[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
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164626240
5-[5-chloro-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 118408143
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036
(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
8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408041
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118450446

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde?
The IUPAC name of 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde (CID 164625693) is 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde is O=Cc1cc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)cs1.
What is the InChIKey of 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde?
The InChIKey is XLZUYVNVCFYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-15-9-20-8-14(12-7-13(10-23)25-11-12)16(15)22-5-2-18(3-6-22)1-4-21-17(18)24/h7-11H,1-6H2,(H,21,24).
What are the key properties of 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde?
4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde has a molecular weight of 375.88 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 164625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).