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

C20H25ClN6O2 — CID 162662161

IUPAC8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cnn(N3CCOCC3)c1)CC2
InChIInChI=1S/C20H25ClN6O2/c21-17-13-22-12-16(15-11-24-27(14-15)26-7-9-29-10-8-26)18(17)25-5-2-20(3-6-25)1-4-23-19(20)28/h11-14H,1-10H2,(H,23,28)
InChIKeyHZJXXKQTZYXREV-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.67
Rot. Bonds3

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

8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162662161) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162662161
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cnn(N3CCOCC3)c1)CC2
InChIInChI=1S/C20H25ClN6O2/c21-17-13-22-12-16(15-11-24-27(14-15)26-7-9-29-10-8-26)18(17)25-5-2-20(3-6-25)1-4-23-19(20)28/h11-14H,1-10H2,(H,23,28)
InChIKeyHZJXXKQTZYXREV-UHFFFAOYSA-N
XLogP1.67
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162662161) is 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1cnn(N3CCOCC3)c1)CC2.
What is the InChIKey of 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HZJXXKQTZYXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c21-17-13-22-12-16(15-11-24-27(14-15)26-7-9-29-10-8-26)18(17)25-5-2-20(3-6-25)1-4-23-19(20)28/h11-14H,1-10H2,(H,23,28).
What are the key properties of 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 416.91 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162662161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).