(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone

C25H30N2O2 — CID 123821506

IUPAC(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone
SMILESCc1ccc(C(C)(c2c[nH]c3c(C(=O)N4CCC(O)C4)cccc23)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-16(2)25(4,18-10-8-17(3)9-11-18)22-14-26-23-20(22)6-5-7-21(23)24(29)27-13-12-19(28)15-27/h5-11,14,16,19,26,28H,12-13,15H2,1-4H3
InChIKeyBIPBHNNZHIEWEJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.65
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone (PubChem CID 123821506) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone
PubChem CID123821506
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone
SMILESCc1ccc(C(C)(c2c[nH]c3c(C(=O)N4CCC(O)C4)cccc23)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-16(2)25(4,18-10-8-17(3)9-11-18)22-14-26-23-20(22)6-5-7-21(23)24(29)27-13-12-19(28)15-27/h5-11,14,16,19,26,28H,12-13,15H2,1-4H3
InChIKeyBIPBHNNZHIEWEJ-UHFFFAOYSA-N
XLogP4.65
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone (CID 123821506) is (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone is Cc1ccc(C(C)(c2c[nH]c3c(C(=O)N4CCC(O)C4)cccc23)C(C)C)cc1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone?
The InChIKey is BIPBHNNZHIEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16(2)25(4,18-10-8-17(3)9-11-18)22-14-26-23-20(22)6-5-7-21(23)24(29)27-13-12-19(28)15-27/h5-11,14,16,19,26,28H,12-13,15H2,1-4H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-7-yl]methanone is sourced from PubChem (CID 123821506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).