[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone

C19H24N4O2 — CID 154786293

IUPAC[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C19H24N4O2/c1-25-15-10-14(11-22-9-8-18(20)21-22)23(12-15)19(24)17-7-3-5-13-4-2-6-16(13)17/h3,5,7-9,14-15H,2,4,6,10-12H2,1H3,(H2,20,21)/t14-,15-/m0/s1
InChIKeyQASZLHXUVDGGCZ-GJZGRUSLSA-N
MW340.43 g/mol
LogP1.88
Rot. Bonds4

About [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone (PubChem CID 154786293) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
PubChem CID154786293
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cccc3c2CCC3)C1
InChIInChI=1S/C19H24N4O2/c1-25-15-10-14(11-22-9-8-18(20)21-22)23(12-15)19(24)17-7-3-5-13-4-2-6-16(13)17/h3,5,7-9,14-15H,2,4,6,10-12H2,1H3,(H2,20,21)/t14-,15-/m0/s1
InChIKeyQASZLHXUVDGGCZ-GJZGRUSLSA-N
XLogP1.88
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154783729
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 167924687
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone
CID 154767975
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
CID 154767993
(E)-1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-3-(2-methylphenyl)but-2-en-1-one
CID 167796218
1-[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-fluoro-3-methylbut-2-en-1-one
CID 167893486
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 154788739
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 154768003
1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-(1,3-benzodioxol-5-yl)ethanone
CID 167750094
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
(2-chloro-3-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985611
(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 167953557

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone?
The IUPAC name of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone (CID 154786293) is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone?
The canonical SMILES for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone is CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2cccc3c2CCC3)C1.
What is the InChIKey of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone?
The InChIKey is QASZLHXUVDGGCZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-15-10-14(11-22-9-8-18(20)21-22)23(12-15)19(24)17-7-3-5-13-4-2-6-16(13)17/h3,5,7-9,14-15H,2,4,6,10-12H2,1H3,(H2,20,21)/t14-,15-/m0/s1.
What are the key properties of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone?
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone is sourced from PubChem (CID 154786293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).