3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine

C19H23N3O2 — CID 72877522

IUPAC3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
SMILESCOc1cccc2c1OCC(Cc1ccc(N3CCCC3)nn1)C2
InChIInChI=1S/C19H23N3O2/c1-23-17-6-4-5-15-11-14(13-24-19(15)17)12-16-7-8-18(21-20-16)22-9-2-3-10-22/h4-8,14H,2-3,9-13H2,1H3
InChIKeyMZRGUEFSMZULMN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds4

About 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine

3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine (PubChem CID 72877522) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
PubChem CID72877522
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
SMILESCOc1cccc2c1OCC(Cc1ccc(N3CCCC3)nn1)C2
InChIInChI=1S/C19H23N3O2/c1-23-17-6-4-5-15-11-14(13-24-19(15)17)12-16-7-8-18(21-20-16)22-9-2-3-10-22/h4-8,14H,2-3,9-13H2,1H3
InChIKeyMZRGUEFSMZULMN-UHFFFAOYSA-N
XLogP2.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine 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

6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
CID 72892173
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511
4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
CID 72910039
3-[(1-methylpiperidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 95846220

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine (CID 72877522) is 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine is COc1cccc2c1OCC(Cc1ccc(N3CCCC3)nn1)C2.
What is the InChIKey of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
The InChIKey is MZRGUEFSMZULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-6-4-5-15-11-14(13-24-19(15)17)12-16-7-8-18(21-20-16)22-9-2-3-10-22/h4-8,14H,2-3,9-13H2,1H3.
What are the key properties of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine?
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine has a molecular weight of 325.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 72877522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).