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

C21H23ClN6O — CID 162645719

IUPAC8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(Nc3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C21H23ClN6O/c1-27-18-3-2-15(10-14(18)11-25-27)26-17-13-23-12-16(22)19(17)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-13,26H,4-9H2,1H3,(H,24,29)
InChIKeyAALBOVMFPPKODG-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.47
Rot. Bonds3

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

8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162645719) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162645719
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(Nc3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C21H23ClN6O/c1-27-18-3-2-15(10-14(18)11-25-27)26-17-13-23-12-16(22)19(17)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-13,26H,4-9H2,1H3,(H,24,29)
InChIKeyAALBOVMFPPKODG-UHFFFAOYSA-N
XLogP3.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162645719) is 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1ncc2cc(Nc3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.
What is the InChIKey of 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AALBOVMFPPKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-27-18-3-2-15(10-14(18)11-25-27)26-17-13-23-12-16(22)19(17)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-13,26H,4-9H2,1H3,(H,24,29).
What are the key properties of 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 410.91 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[(1-methylindazol-5-yl)amino]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162645719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).