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

C21H22ClN5O — CID 91928414

IUPAC8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C21H22ClN5O/c1-26-18-3-2-14(10-15(18)11-25-26)16-12-23-13-17(22)19(16)27-8-5-21(6-9-27)4-7-24-20(21)28/h2-3,10-13H,4-9H2,1H3,(H,24,28)
InChIKeyVIEYRTKHMAJVMI-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.40
Rot. Bonds2

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

8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 91928414) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID91928414
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C21H22ClN5O/c1-26-18-3-2-14(10-15(18)11-25-26)16-12-23-13-17(22)19(16)27-8-5-21(6-9-27)4-7-24-20(21)28/h2-3,10-13H,4-9H2,1H3,(H,24,28)
InChIKeyVIEYRTKHMAJVMI-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 91928414) is 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1ncc2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.
What is the InChIKey of 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VIEYRTKHMAJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-26-18-3-2-14(10-15(18)11-25-26)16-12-23-13-17(22)19(16)27-8-5-21(6-9-27)4-7-24-20(21)28/h2-3,10-13H,4-9H2,1H3,(H,24,28).
What are the key properties of 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 395.89 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 91928414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).