[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

C20H24N4O2 — CID 95120636

IUPAC[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@@H](n4nc(C)cc4C)C3)n(C)c2c1
InChIInChI=1S/C20H24N4O2/c1-13-9-14(2)24(21-13)16-7-8-23(12-16)20(25)19-10-15-5-6-17(26-4)11-18(15)22(19)3/h5-6,9-11,16H,7-8,12H2,1-4H3/t16-/m1/s1
InChIKeyQRSPCZGNADTSTG-MRXNPFEDSA-N
MW352.44 g/mol
LogP3.09
Rot. Bonds3

About [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (PubChem CID 95120636) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
PubChem CID95120636
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@@H](n4nc(C)cc4C)C3)n(C)c2c1
InChIInChI=1S/C20H24N4O2/c1-13-9-14(2)24(21-13)16-7-8-23(12-16)20(25)19-10-15-5-6-17(26-4)11-18(15)22(19)3/h5-6,9-11,16H,7-8,12H2,1-4H3/t16-/m1/s1
InChIKeyQRSPCZGNADTSTG-MRXNPFEDSA-N
XLogP3.09
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (CID 95120636) is [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is COc1ccc2cc(C(=O)N3CC[C@@H](n4nc(C)cc4C)C3)n(C)c2c1.
What is the InChIKey of [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is QRSPCZGNADTSTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-9-14(2)24(21-13)16-7-8-23(12-16)20(25)19-10-15-5-6-17(26-4)11-18(15)22(19)3/h5-6,9-11,16H,7-8,12H2,1-4H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 95120636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).