3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole

C20H21N3O — CID 22914807

IUPAC3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole
SMILESCOc1ccc(C2=CCN(Cc3[nH]nc4ccccc34)CC2)cc1
InChIInChI=1S/C20H21N3O/c1-24-17-8-6-15(7-9-17)16-10-12-23(13-11-16)14-20-18-4-2-3-5-19(18)21-22-20/h2-10H,11-14H2,1H3,(H,21,22)
InChIKeyNVQPSWHGBRUMCG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.86
Rot. Bonds4

About 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole

3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole (PubChem CID 22914807) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole
PubChem CID22914807
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole
SMILESCOc1ccc(C2=CCN(Cc3[nH]nc4ccccc34)CC2)cc1
InChIInChI=1S/C20H21N3O/c1-24-17-8-6-15(7-9-17)16-10-12-23(13-11-16)14-20-18-4-2-3-5-19(18)21-22-20/h2-10H,11-14H2,1H3,(H,21,22)
InChIKeyNVQPSWHGBRUMCG-UHFFFAOYSA-N
XLogP3.86
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole 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

4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
CID 10367883
1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15185952
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
6-(2H-indazol-3-ylmethyl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914838
(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 95885516
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996
2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 75369283
6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946231
3-[2-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
CID 139776113
7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 13491216

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole (CID 22914807) is 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole is COc1ccc(C2=CCN(Cc3[nH]nc4ccccc34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole?
The InChIKey is NVQPSWHGBRUMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-17-8-6-15(7-9-17)16-10-12-23(13-11-16)14-20-18-4-2-3-5-19(18)21-22-20/h2-10H,11-14H2,1H3,(H,21,22).
What are the key properties of 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole?
3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole has a molecular weight of 319.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 22914807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).