ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H29N3O4 — CID 26223172

IUPACethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C25H29N3O4/c1-4-32-25(29)24-22-17-27(15-18-5-9-20(30-2)10-6-18)14-13-23(22)28(26-24)16-19-7-11-21(31-3)12-8-19/h5-12H,4,13-17H2,1-3H3
InChIKeyJYGJKPWGXVEUGC-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.68
Rot. Bonds8

About ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26223172) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26223172
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Nameethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C25H29N3O4/c1-4-32-25(29)24-22-17-27(15-18-5-9-20(30-2)10-6-18)14-13-23(22)28(26-24)16-19-7-11-21(31-3)12-8-19/h5-12H,4,13-17H2,1-3H3
InChIKeyJYGJKPWGXVEUGC-UHFFFAOYSA-N
XLogP3.68
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233457
ethyl 5-[(4-acetamidophenyl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143774
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138879
ethyl 5-[(4-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140595
ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135313
ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136511
N-ethyl-1,5-bis[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137652
ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26228687
ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 170928576
ethyl 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220068

Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26223172) is ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(Cc1ccc(OC)cc1)CC2.
What is the InChIKey of ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is JYGJKPWGXVEUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-32-25(29)24-22-17-27(15-18-5-9-20(30-2)10-6-18)14-13-23(22)28(26-24)16-19-7-11-21(31-3)12-8-19/h5-12H,4,13-17H2,1-3H3.
What are the key properties of ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 435.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26223172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).