8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C17H17Cl2N3OS — CID 164627305

IUPAC8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H17Cl2N3OS/c18-12-10-20-9-11(13-1-2-14(19)24-13)15(12)22-7-4-17(5-8-22)3-6-21-16(17)23/h1-2,9-10H,3-8H2,(H,21,23)
InChIKeyJZJJXQLMEJTQNR-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.22
Rot. Bonds2

About 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 164627305) has the molecular formula C17H17Cl2N3OS and a molecular weight of 382.32 g/mol. Its IUPAC name is 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID164627305
Molecular FormulaC17H17Cl2N3OS
Molecular Weight382.32 g/mol
Exact Mass381.05
IUPAC Name8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H17Cl2N3OS/c18-12-10-20-9-11(13-1-2-14(19)24-13)15(12)22-7-4-17(5-8-22)3-6-21-16(17)23/h1-2,9-10H,3-8H2,(H,21,23)
InChIKeyJZJJXQLMEJTQNR-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one 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-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164626240
5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
CID 164610275
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-(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-(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-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036
8-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118450446
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
4-[4-[4-[4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138542919
8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
CID 158981180

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 164627305) is 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(Cl)s1)CC2.
What is the InChIKey of 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JZJJXQLMEJTQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3OS/c18-12-10-20-9-11(13-1-2-14(19)24-13)15(12)22-7-4-17(5-8-22)3-6-21-16(17)23/h1-2,9-10H,3-8H2,(H,21,23).
What are the key properties of 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 382.32 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 164627305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).