1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H22N4O — CID 95736162

IUPAC1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C17H22N4O/c1-20-9-3-7-15(20)16-8-4-10-21(16)17(22)12-5-2-6-14-13(12)11-18-19-14/h2,5-6,11,15-16H,3-4,7-10H2,1H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyMRTDJAJZVQOGEH-CVEARBPZSA-N
MW298.39 g/mol
LogP2.26
Rot. Bonds2

About 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95736162) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95736162
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C17H22N4O/c1-20-9-3-7-15(20)16-8-4-10-21(16)17(22)12-5-2-6-14-13(12)11-18-19-14/h2,5-6,11,15-16H,3-4,7-10H2,1H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyMRTDJAJZVQOGEH-CVEARBPZSA-N
XLogP2.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
(2,3-dimethoxyphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95316336
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736031
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95334489
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427381
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427380
1H-indazol-4-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733966

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95736162) is 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MRTDJAJZVQOGEH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-9-3-7-15(20)16-8-4-10-21(16)17(22)12-5-2-6-14-13(12)11-18-19-14/h2,5-6,11,15-16H,3-4,7-10H2,1H3,(H,18,19)/t15-,16+/m1/s1.
What are the key properties of 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).