6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C20H22F3N7O — CID 137215917

IUPAC6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1CN(c2nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]2)CCC12CCCC2
InChIInChI=1S/C20H22F3N7O/c21-20(22,23)15-11(4-3-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-7-19(12(24)10-30)5-1-2-6-19/h3-4,8,12H,1-2,5-7,9-10,24H2,(H2,26,27,28,29,31)
InChIKeyPNAUSFMYVIMUSH-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.82
Rot. Bonds2

About 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137215917) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137215917
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1CN(c2nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]2)CCC12CCCC2
InChIInChI=1S/C20H22F3N7O/c21-20(22,23)15-11(4-3-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-7-19(12(24)10-30)5-1-2-6-19/h3-4,8,12H,1-2,5-7,9-10,24H2,(H2,26,27,28,29,31)
InChIKeyPNAUSFMYVIMUSH-UHFFFAOYSA-N
XLogP2.82
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137215917) is 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is NC1CN(c2nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]2)CCC12CCCC2.
What is the InChIKey of 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is PNAUSFMYVIMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c21-20(22,23)15-11(4-3-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-7-19(12(24)10-30)5-1-2-6-19/h3-4,8,12H,1-2,5-7,9-10,24H2,(H2,26,27,28,29,31).
What are the key properties of 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 433.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137215917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).