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

C22H23F3N6O — CID 74222438

IUPAC8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C22H23F3N6O/c1-30-16-3-2-13(10-14(16)11-29-30)15-12-28-19(26)17(22(23,24)25)18(15)31-8-5-21(6-9-31)4-7-27-20(21)32/h2-3,10-12H,4-9H2,1H3,(H2,26,28)(H,27,32)
InChIKeyNIKUYKHHRADECG-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.34
Rot. Bonds2

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

8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 74222438) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID74222438
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ncc2cc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C22H23F3N6O/c1-30-16-3-2-13(10-14(16)11-29-30)15-12-28-19(26)17(22(23,24)25)18(15)31-8-5-21(6-9-31)4-7-27-20(21)32/h2-3,10-12H,4-9H2,1H3,(H2,26,28)(H,27,32)
InChIKeyNIKUYKHHRADECG-UHFFFAOYSA-N
XLogP3.34
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 74222438) is 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1ncc2cc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)ccc21.
What is the InChIKey of 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NIKUYKHHRADECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-30-16-3-2-13(10-14(16)11-29-30)15-12-28-19(26)17(22(23,24)25)18(15)31-8-5-21(6-9-31)4-7-27-20(21)32/h2-3,10-12H,4-9H2,1H3,(H2,26,28)(H,27,32).
What are the key properties of 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 444.46 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-5-(1-methylindazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 74222438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).