5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C20H28N4O2 — CID 77082129

IUPAC5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCOc1cc(CN2CCc3[nH]ncc3C2)ccc1OCCN1CCCC1
InChIInChI=1S/C20H28N4O2/c1-25-20-12-16(14-24-9-6-18-17(15-24)13-21-22-18)4-5-19(20)26-11-10-23-7-2-3-8-23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H,21,22)
InChIKeySJMYXHXDZKVINS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.45
Rot. Bonds7

About 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 77082129) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID77082129
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCOc1cc(CN2CCc3[nH]ncc3C2)ccc1OCCN1CCCC1
InChIInChI=1S/C20H28N4O2/c1-25-20-12-16(14-24-9-6-18-17(15-24)13-21-22-18)4-5-19(20)26-11-10-23-7-2-3-8-23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H,21,22)
InChIKeySJMYXHXDZKVINS-UHFFFAOYSA-N
XLogP2.45
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 72904528
1-(azocan-1-yl)-3-[2-methoxy-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 45250211
1-[benzyl(methyl)amino]-3-[2-methoxy-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 45227749
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
CID 2977166
(2R)-1-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2-methyl-1,4-diazepan-5-one
CID 99959962
5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 167838263
2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
6-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930089

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 77082129) is 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is COc1cc(CN2CCc3[nH]ncc3C2)ccc1OCCN1CCCC1.
What is the InChIKey of 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is SJMYXHXDZKVINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-20-12-16(14-24-9-6-18-17(15-24)13-21-22-18)4-5-19(20)26-11-10-23-7-2-3-8-23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H,21,22).
What are the key properties of 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 356.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 77082129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).