2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C20H22N6O2 — CID 50980598

IUPAC2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1[nH]nc2ccccc12)N1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C20H22N6O2/c27-19(12-17-15-5-1-2-6-16(15)21-22-17)25-9-10-26-14(13-25)11-18(23-26)20(28)24-7-3-4-8-24/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,21,22)
InChIKeyQTKXGGXYCLDHOE-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.58
Rot. Bonds3

About 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 50980598) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID50980598
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1[nH]nc2ccccc12)N1CCn2nc(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C20H22N6O2/c27-19(12-17-15-5-1-2-6-16(15)21-22-17)25-9-10-26-14(13-25)11-18(23-26)20(28)24-7-3-4-8-24/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,21,22)
InChIKeyQTKXGGXYCLDHOE-UHFFFAOYSA-N
XLogP1.58
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718588
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
2-butoxy-1-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 50955686
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-quinazolin-4-yloxyethanone
CID 91765869
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 118790910
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 50980598) is 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1[nH]nc2ccccc12)N1CCn2nc(C(=O)N3CCCC3)cc2C1.
What is the InChIKey of 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is QTKXGGXYCLDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19(12-17-15-5-1-2-6-16(15)21-22-17)25-9-10-26-14(13-25)11-18(23-26)20(28)24-7-3-4-8-24/h1-2,5-6,11H,3-4,7-10,12-13H2,(H,21,22).
What are the key properties of 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 378.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 50980598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).