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

C22H27ClN4O2S — CID 164626240

IUPAC8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(CN3CCOCC3)s1)CC2
InChIInChI=1S/C22H27ClN4O2S/c23-18-14-24-13-17(19-2-1-16(30-19)15-26-9-11-29-12-10-26)20(18)27-7-4-22(5-8-27)3-6-25-21(22)28/h1-2,13-14H,3-12,15H2,(H,25,28)
InChIKeyDQPHCRJDVQHPSA-UHFFFAOYSA-N
MW447.00 g/mol
LogP3.40
Rot. Bonds4

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

8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 164626240) has the molecular formula C22H27ClN4O2S and a molecular weight of 447.00 g/mol. Its IUPAC name is 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID164626240
Molecular FormulaC22H27ClN4O2S
Molecular Weight447.00 g/mol
Exact Mass446.15
IUPAC Name8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(CN3CCOCC3)s1)CC2
InChIInChI=1S/C22H27ClN4O2S/c23-18-14-24-13-17(19-2-1-16(30-19)15-26-9-11-29-12-10-26)20(18)27-7-4-22(5-8-27)3-6-25-21(22)28/h1-2,13-14H,3-12,15H2,(H,25,28)
InChIKeyDQPHCRJDVQHPSA-UHFFFAOYSA-N
XLogP3.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164627305
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
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 118730664
methanol;4-[(5-pyridin-3-ylthiophen-2-yl)methyl]morpholine
CID 144647017
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
8-[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 58439160
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
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 164626240) is 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(CN3CCOCC3)s1)CC2.
What is the InChIKey of 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DQPHCRJDVQHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2S/c23-18-14-24-13-17(19-2-1-16(30-19)15-26-9-11-29-12-10-26)20(18)27-7-4-22(5-8-27)3-6-25-21(22)28/h1-2,13-14H,3-12,15H2,(H,25,28).
What are the key properties of 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 447.00 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 164626240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).