[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

C13H16N4O — CID 124698924

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CC[C@H](N)C3)c2c1
InChIInChI=1S/C13H16N4O/c1-8-2-3-11-10(6-8)12(16-15-11)13(18)17-5-4-9(14)7-17/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKZFFTCMKAYPCAI-VIFPVBQESA-N
MW244.30 g/mol
LogP1.04
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 124698924) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
PubChem CID124698924
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CC[C@H](N)C3)c2c1
InChIInChI=1S/C13H16N4O/c1-8-2-3-11-10(6-8)12(16-15-11)13(18)17-5-4-9(14)7-17/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKZFFTCMKAYPCAI-VIFPVBQESA-N
XLogP1.04
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95834667
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 119539126
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 124698924) is [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CC[C@H](N)C3)c2c1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The InChIKey is KZFFTCMKAYPCAI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-2-3-11-10(6-8)12(16-15-11)13(18)17-5-4-9(14)7-17/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 124698924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).