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

C21H21F3N6O — CID 162594319

IUPAC8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(-c2ccc3[nH]ncc3c2)c(N2CCC3(CCNC3=O)CC2)c1C(F)(F)F
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)16-17(30-7-4-20(5-8-30)3-6-26-19(20)31)14(11-27-18(16)25)12-1-2-15-13(9-12)10-28-29-15/h1-2,9-11H,3-8H2,(H2,25,27)(H,26,31)(H,28,29)
InChIKeyDNKRSFOZMZQFNT-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.33
Rot. Bonds2

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

8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162594319) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162594319
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(-c2ccc3[nH]ncc3c2)c(N2CCC3(CCNC3=O)CC2)c1C(F)(F)F
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)16-17(30-7-4-20(5-8-30)3-6-26-19(20)31)14(11-27-18(16)25)12-1-2-15-13(9-12)10-28-29-15/h1-2,9-11H,3-8H2,(H2,25,27)(H,26,31)(H,28,29)
InChIKeyDNKRSFOZMZQFNT-UHFFFAOYSA-N
XLogP3.33
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-amino-3-chloro-5-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118564078
8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407974
5-[2-(trifluoromethylsulfonyl)-3-pyridinyl]-1H-indazole
CID 141137161
4-(1H-indazol-5-yl)-6-pyrrolidin-1-yl-1H-pyridin-2-one
CID 59028174
8-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 174338970
8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 66744956
4-(1H-indazol-5-yl)pyrimidin-2-amine
CID 54420708
4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
CID 59028194
5-[6-amino-5-hydroxy-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-1-methyl-2,2-dioxo-2,1-benzothiazol-3-one
CID 74222966
8-[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351862
8-[2-but-3-ynyl-3-ethyl-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123558358

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 162594319) is 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Nc1ncc(-c2ccc3[nH]ncc3c2)c(N2CCC3(CCNC3=O)CC2)c1C(F)(F)F.
What is the InChIKey of 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DNKRSFOZMZQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)16-17(30-7-4-20(5-8-30)3-6-26-19(20)31)14(11-27-18(16)25)12-1-2-15-13(9-12)10-28-29-15/h1-2,9-11H,3-8H2,(H2,25,27)(H,26,31)(H,28,29).
What are the key properties of 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 430.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162594319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).