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

C24H25F3N6O — CID 74222522

IUPAC8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C24H25F3N6O/c1-32-14-17(12-31-32)15-2-4-16(5-3-15)18-13-30-21(28)19(24(25,26)27)20(18)33-10-7-23(8-11-33)6-9-29-22(23)34/h2-5,12-14H,6-11H2,1H3,(H2,28,30)(H,29,34)
InChIKeyNAVWVDFKHIIIDK-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.86
Rot. Bonds3

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

8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 74222522) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID74222522
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C24H25F3N6O/c1-32-14-17(12-31-32)15-2-4-16(5-3-15)18-13-30-21(28)19(24(25,26)27)20(18)33-10-7-23(8-11-33)6-9-29-22(23)34/h2-5,12-14H,6-11H2,1H3,(H2,28,30)(H,29,34)
InChIKeyNAVWVDFKHIIIDK-UHFFFAOYSA-N
XLogP3.86
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.86
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-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 74222522) is 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.
What is the InChIKey of 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NAVWVDFKHIIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-32-14-17(12-31-32)15-2-4-16(5-3-15)18-13-30-21(28)19(24(25,26)27)20(18)33-10-7-23(8-11-33)6-9-29-22(23)34/h2-5,12-14H,6-11H2,1H3,(H2,28,30)(H,29,34).
What are the key properties of 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 470.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 74222522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).