[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone

C18H23N5O2 — CID 154767975

IUPAC[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C18H23N5O2/c1-25-15-9-14(10-22-7-5-17(19)21-22)23(11-15)18(24)13-2-3-16-12(8-13)4-6-20-16/h2-3,5,7-8,14-15,20H,4,6,9-11H2,1H3,(H2,19,21)/t14-,15-/m0/s1
InChIKeyBJAAHPQAPZRADC-GJZGRUSLSA-N
MW341.42 g/mol
LogP1.36
Rot. Bonds4

About [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone (PubChem CID 154767975) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone
PubChem CID154767975
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc3c(c2)CCN3)C1
InChIInChI=1S/C18H23N5O2/c1-25-15-9-14(10-22-7-5-17(19)21-22)23(11-15)18(24)13-2-3-16-12(8-13)4-6-20-16/h2-3,5,7-8,14-15,20H,4,6,9-11H2,1H3,(H2,19,21)/t14-,15-/m0/s1
InChIKeyBJAAHPQAPZRADC-GJZGRUSLSA-N
XLogP1.36
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
CID 154786293
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 154788241
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 167924687
1-[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-fluoro-3-methylbut-2-en-1-one
CID 167893486
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154783729
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(3-methoxy-5-methyl-2-pyridinyl)methanone
CID 154786448
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 154788739
1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-(1,3-benzodioxol-5-yl)ethanone
CID 167750094
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 154768003
6-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154738912
1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 167864214
(E)-1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-3-(2-methylphenyl)but-2-en-1-one
CID 167796218

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-indol-5-yl)methanone?
The IUPAC name of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone (CID 154767975) is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone?
The canonical SMILES for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone is CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc3c(c2)CCN3)C1.
What is the InChIKey of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone?
The InChIKey is BJAAHPQAPZRADC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-15-9-14(10-22-7-5-17(19)21-22)23(11-15)18(24)13-2-3-16-12(8-13)4-6-20-16/h2-3,5,7-8,14-15,20H,4,6,9-11H2,1H3,(H2,19,21)/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-indol-5-yl)methanone?
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-indol-5-yl)methanone is sourced from PubChem (CID 154767975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).