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

C21H23ClN6O — CID 118408129

IUPAC8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nc(N)c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc21
InChIInChI=1S/C21H23ClN6O/c1-27-17-10-13(2-3-14(17)19(23)26-27)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,26)(H,25,29)
InChIKeyLLNFBSQVFXOHIC-UHFFFAOYSA-N
MW410.91 g/mol
LogP2.98
Rot. Bonds2

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

8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118408129) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118408129
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nc(N)c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc21
InChIInChI=1S/C21H23ClN6O/c1-27-17-10-13(2-3-14(17)19(23)26-27)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,26)(H,25,29)
InChIKeyLLNFBSQVFXOHIC-UHFFFAOYSA-N
XLogP2.98
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118408129) is 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1nc(N)c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc21.
What is the InChIKey of 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LLNFBSQVFXOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-27-17-10-13(2-3-14(17)19(23)26-27)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,26)(H,25,29).
What are the key properties of 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 410.91 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118408129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).