8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C23H27ClN6O — CID 127047942

IUPAC8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN(C)c1nn(C)c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
InChIInChI=1S/C23H27ClN6O/c1-28(2)21-16-5-4-15(12-19(16)29(3)27-21)17-13-25-14-18(24)20(17)30-10-7-23(8-11-30)6-9-26-22(23)31/h4-5,12-14H,6-11H2,1-3H3,(H,26,31)
InChIKeyAKRQDWCCIMBUAA-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.46
Rot. Bonds3

About 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 127047942) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID127047942
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN(C)c1nn(C)c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
InChIInChI=1S/C23H27ClN6O/c1-28(2)21-16-5-4-15(12-19(16)29(3)27-21)17-13-25-14-18(24)20(17)30-10-7-23(8-11-30)6-9-26-22(23)31/h4-5,12-14H,6-11H2,1-3H3,(H,26,31)
InChIKeyAKRQDWCCIMBUAA-UHFFFAOYSA-N
XLogP3.46
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 127047942) is 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CN(C)c1nn(C)c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.
What is the InChIKey of 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AKRQDWCCIMBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-28(2)21-16-5-4-15(12-19(16)29(3)27-21)17-13-25-14-18(24)20(17)30-10-7-23(8-11-30)6-9-26-22(23)31/h4-5,12-14H,6-11H2,1-3H3,(H,26,31).
What are the key properties of 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 438.96 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[3-(dimethylamino)-1-methylindazol-6-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 127047942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).