5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol

C23H25N3O — CID 69293865

IUPAC5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
SMILESCc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c[nH]cc2c1O
InChIInChI=1S/C23H25N3O/c1-15-9-18(19-12-24-13-20(19)23(15)27)22-11-17-10-16(5-6-21(17)25-22)14-26-7-3-2-4-8-26/h5-6,9-13,24-25,27H,2-4,7-8,14H2,1H3
InChIKeyIIBVHTLLFWEVJJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.32
Rot. Bonds3

About 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol

5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol (PubChem CID 69293865) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol.

Molecular Properties

Compound Name5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
PubChem CID69293865
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
SMILESCc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c[nH]cc2c1O
InChIInChI=1S/C23H25N3O/c1-15-9-18(19-12-24-13-20(19)23(15)27)22-11-17-10-16(5-6-21(17)25-22)14-26-7-3-2-4-8-26/h5-6,9-13,24-25,27H,2-4,7-8,14H2,1H3
InChIKeyIIBVHTLLFWEVJJ-UHFFFAOYSA-N
XLogP5.32
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
CID 69324713
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
5-[(dimethylamino)methyl]-4-hydroxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68825189
4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 174551690
3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine
CID 142263038
6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 135908184
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-3-ol
CID 59640241
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
5-(1-hydroxypropan-2-ylamino)-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68808786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol?
The IUPAC name of 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol (CID 69293865) is 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol.
What is the SMILES notation for 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol?
The canonical SMILES for 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol is Cc1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c[nH]cc2c1O.
What is the InChIKey of 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol?
The InChIKey is IIBVHTLLFWEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-9-18(19-12-24-13-20(19)23(15)27)22-11-17-10-16(5-6-21(17)25-22)14-26-7-3-2-4-8-26/h5-6,9-13,24-25,27H,2-4,7-8,14H2,1H3.
What are the key properties of 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol?
5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol has a molecular weight of 359.47 g/mol, XLogP of 5.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol is sourced from PubChem (CID 69293865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).