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

C20H22F3N7O — CID 137174605

IUPAC6-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1CCCC12CCN(c1nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]1)CC2
InChIInChI=1S/C20H22F3N7O/c21-20(22,23)15-11(3-2-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-6-19(7-10-30)5-1-4-12(19)24/h2-3,8,12H,1,4-7,9-10,24H2,(H2,26,27,28,29,31)
InChIKeyVTCHFRUWWWKDBF-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.82
Rot. Bonds2

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

6-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137174605) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-(4-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-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137174605
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name6-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESNC1CCCC12CCN(c1nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]1)CC2
InChIInChI=1S/C20H22F3N7O/c21-20(22,23)15-11(3-2-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-6-19(7-10-30)5-1-4-12(19)24/h2-3,8,12H,1,4-7,9-10,24H2,(H2,26,27,28,29,31)
InChIKeyVTCHFRUWWWKDBF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gpd-1116
CID 9841417
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147927
6-(4-Amino-4-methylpiperidin-1-yl)-3-(3-chloro-4-pyridinyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168276911
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215921
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135915152
(R)-5-(4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-1H-pyrrole-3-carboxamide
CID 135985523
5-[4-[[(3S)-3-(trifluoromethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 135985526
N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 135985534
N-methyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 136337837
3-fluoro-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 49795798
N-{1-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-6-methylpyridine-3-carboxamide
CID 91904827
7,7-dimethyl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)pyridin-3-yl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136266535

Frequently Asked Questions

What is the IUPAC name of 6-(4-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-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137174605) is 6-(4-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-(4-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-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is NC1CCCC12CCN(c1nc3n[nH]c(-c4cccnc4C(F)(F)F)c3c(=O)[nH]1)CC2.
What is the InChIKey of 6-(4-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 VTCHFRUWWWKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c21-20(22,23)15-11(3-2-8-25-15)14-13-16(29-28-14)26-18(27-17(13)31)30-9-6-19(7-10-30)5-1-4-12(19)24/h2-3,8,12H,1,4-7,9-10,24H2,(H2,26,27,28,29,31).
What are the key properties of 6-(4-amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(4-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-(4-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 137174605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).