3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one

C23H26FN5O — CID 172687958

IUPAC3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
SMILES[2H]C([2H])([2H])c1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)CCN(C)C)CC3)ccn1
InChIInChI=1S/C23H26FN5O/c1-16-14-18(8-10-25-16)22-20-15-28(21(30)9-11-27(2)3)12-13-29(20)26-23(22)17-4-6-19(24)7-5-17/h4-8,10,14H,9,11-13,15H2,1-3H3/i1D3
InChIKeyBHCPRJAUWSZDPQ-FIBGUPNXSA-N
MW410.51 g/mol
LogP3.35
Rot. Bonds6

About 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one

3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one (PubChem CID 172687958) has the molecular formula C23H26FN5O and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
PubChem CID172687958
Molecular FormulaC23H26FN5O
Molecular Weight410.51 g/mol
Exact Mass410.23
IUPAC Name3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
SMILES[2H]C([2H])([2H])c1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)CCN(C)C)CC3)ccn1
InChIInChI=1S/C23H26FN5O/c1-16-14-18(8-10-25-16)22-20-15-28(21(30)9-11-27(2)3)12-13-29(20)26-23(22)17-4-6-19(24)7-5-17/h4-8,10,14H,9,11-13,15H2,1-3H3/i1D3
InChIKeyBHCPRJAUWSZDPQ-FIBGUPNXSA-N
XLogP3.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-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

(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 167130400
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
1-[3-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanethione
CID 167130627
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
CID 167130311
1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]but-2-yn-1-one
CID 170327905
N-[4-[2-(4-fluorophenyl)-5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 170327423
N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide
CID 176877374
(E)-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(methylamino)but-2-en-1-one
CID 170327404
1-[2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 166068445
1-[2-(4-fluorophenyl)-3-(2-methyl-3H-[1,2]oxazolo[4,5-b]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 168801160
4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine
CID 167130352
N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 176877371

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one (CID 172687958) is 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one is [2H]C([2H])([2H])c1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)CCN(C)C)CC3)ccn1.
What is the InChIKey of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The InChIKey is BHCPRJAUWSZDPQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-16-14-18(8-10-25-16)22-20-15-28(21(30)9-11-27(2)3)12-13-29(20)26-23(22)17-4-6-19(24)7-5-17/h4-8,10,14H,9,11-13,15H2,1-3H3/i1D3.
What are the key properties of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one is sourced from PubChem (CID 172687958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).