2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C22H31N3O2 — CID 131663369

IUPAC2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOCC1CN(Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21
InChIInChI=1S/C22H31N3O2/c1-26-16-20-14-24(11-18-7-9-21(27-2)10-8-18)13-19-15-25(23-22(19)20)12-17-5-3-4-6-17/h7-10,15,17,20H,3-6,11-14,16H2,1-2H3
InChIKeyFHESDCOEKIDUIT-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.83
Rot. Bonds7

About 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 131663369) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID131663369
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOCC1CN(Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21
InChIInChI=1S/C22H31N3O2/c1-26-16-20-14-24(11-18-7-9-21(27-2)10-8-18)13-19-15-25(23-22(19)20)12-17-5-3-4-6-17/h7-10,15,17,20H,3-6,11-14,16H2,1-2H3
InChIKeyFHESDCOEKIDUIT-UHFFFAOYSA-N
XLogP3.83
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-(cyclopentylmethyl)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382628
7-(ethoxymethyl)-2-ethyl-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655634
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468146
(7R)-2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382618
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 134072135
2-[[2-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171685871
(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382547
2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852
2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 121229600
2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 155853209
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
CID 134072132
[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134073737

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 131663369) is 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COCC1CN(Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21.
What is the InChIKey of 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is FHESDCOEKIDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-26-16-20-14-24(11-18-7-9-21(27-2)10-8-18)13-19-15-25(23-22(19)20)12-17-5-3-4-6-17/h7-10,15,17,20H,3-6,11-14,16H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 369.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 131663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).