1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone

C20H24N4O2 — CID 99979313

IUPAC1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cn(C)c3ccccc13)C2
InChIInChI=1S/C20H24N4O2/c1-3-19(25)17-11-15-13-23(8-9-24(15)21-17)20(26)10-14-12-22(2)18-7-5-4-6-16(14)18/h4-7,11-12,19,25H,3,8-10,13H2,1-2H3/t19-/m1/s1
InChIKeyWYOOSGIJTOOZMO-LJQANCHMSA-N
MW352.44 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone

1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 99979313) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID99979313
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cn(C)c3ccccc13)C2
InChIInChI=1S/C20H24N4O2/c1-3-19(25)17-11-15-13-23(8-9-24(15)21-17)20(26)10-14-12-22(2)18-7-5-4-6-16(14)18/h4-7,11-12,19,25H,3,8-10,13H2,1-2H3/t19-/m1/s1
InChIKeyWYOOSGIJTOOZMO-LJQANCHMSA-N
XLogP2.40
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(1,2-benzoxazol-3-yl)-1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91781796
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90652212
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
3-[3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 91797624
3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone (CID 99979313) is 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone is CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cn(C)c3ccccc13)C2.
What is the InChIKey of 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is WYOOSGIJTOOZMO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-19(25)17-11-15-13-23(8-9-24(15)21-17)20(26)10-14-12-22(2)18-7-5-4-6-16(14)18/h4-7,11-12,19,25H,3,8-10,13H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone?
1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 99979313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).