[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone

C19H22N4O — CID 95606027

IUPAC[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C19H22N4O/c1-13-10-14(2)23(21-13)12-17-4-3-9-22(17)19(24)16-6-5-15-7-8-20-18(15)11-16/h5-8,10-11,17,20H,3-4,9,12H2,1-2H3/t17-/m1/s1
InChIKeyABNORAQRDYGKON-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.29
Rot. Bonds3

About [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 95606027) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID95606027
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C19H22N4O/c1-13-10-14(2)23(21-13)12-17-4-3-9-22(17)19(24)16-6-5-15-7-8-20-18(15)11-16/h5-8,10-11,17,20H,3-4,9,12H2,1-2H3/t17-/m1/s1
InChIKeyABNORAQRDYGKON-QGZVFWFLSA-N
XLogP3.29
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone with MolForge

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Related Compounds

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95605939
3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56779568
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 56779569

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone (CID 95606027) is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone is Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)n1.
What is the InChIKey of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is ABNORAQRDYGKON-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-10-14(2)23(21-13)12-17-4-3-9-22(17)19(24)16-6-5-15-7-8-20-18(15)11-16/h5-8,10-11,17,20H,3-4,9,12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 95606027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).