[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride

C21H29Cl2N3O2 — CID 119540326

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2occc2CN2c3ccccc3CC2C)C1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-15-11-17-5-3-4-6-19(17)24(15)14-18-8-10-26-20(18)21(25)23-9-7-16(13-23)12-22-2;;/h3-6,8,10,15-16,22H,7,9,11-14H2,1-2H3;2*1H
InChIKeyKOZZTCNVHOCLNP-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.76
Rot. Bonds5

About [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride

[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride (PubChem CID 119540326) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
PubChem CID119540326
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2occc2CN2c3ccccc3CC2C)C1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-15-11-17-5-3-4-6-19(17)24(15)14-18-8-10-26-20(18)21(25)23-9-7-16(13-23)12-22-2;;/h3-6,8,10,15-16,22H,7,9,11-14H2,1-2H3;2*1H
InChIKeyKOZZTCNVHOCLNP-UHFFFAOYSA-N
XLogP3.76
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone
CID 120807043
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone
CID 119410657
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
CID 124571833
2-[2-[[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526516
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
CID 124613664
[3-(methylaminomethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119397296
1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 166378922
N-cyclopropyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
CID 56566982
N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide
CID 97003727

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride (CID 119540326) is [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride is CNCC1CCN(C(=O)c2occc2CN2c3ccccc3CC2C)C1.Cl.Cl.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride?
The InChIKey is KOZZTCNVHOCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-15-11-17-5-3-4-6-19(17)24(15)14-18-8-10-26-20(18)21(25)23-9-7-16(13-23)12-22-2;;/h3-6,8,10,15-16,22H,7,9,11-14H2,1-2H3;2*1H.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride?
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 119540326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).