[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C18H20N6O — CID 124963398

IUPAC[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)c1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)cn2nccc12
InChIInChI=1S/C18H20N6O/c1-22(2)17-16-5-8-20-24(16)12-15(21-17)14-6-9-23(11-14)18(25)13-4-3-7-19-10-13/h3-5,7-8,10,12,14H,6,9,11H2,1-2H3/t14-/m1/s1
InChIKeyHPZTTXOFPAHTKW-CQSZACIVSA-N
MW336.40 g/mol
LogP1.82
Rot. Bonds3

About [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124963398) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124963398
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(C)c1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)cn2nccc12
InChIInChI=1S/C18H20N6O/c1-22(2)17-16-5-8-20-24(16)12-15(21-17)14-6-9-23(11-14)18(25)13-4-3-7-19-10-13/h3-5,7-8,10,12,14H,6,9,11H2,1-2H3/t14-/m1/s1
InChIKeyHPZTTXOFPAHTKW-CQSZACIVSA-N
XLogP1.82
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
CID 124986176
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[3-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 75131646
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92607076
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 124963398) is [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is CN(C)c1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)cn2nccc12.
What is the InChIKey of [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HPZTTXOFPAHTKW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22(2)17-16-5-8-20-24(16)12-15(21-17)14-6-9-23(11-14)18(25)13-4-3-7-19-10-13/h3-5,7-8,10,12,14H,6,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124963398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).