ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H22N6O3 — CID 26138507

IUPACethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ncccn3n1)CC2
InChIInChI=1S/C23H22N6O3/c1-2-32-23(31)21-17-15-27(22(30)18-13-20-24-10-6-11-28(20)25-18)12-9-19(17)29(26-21)14-16-7-4-3-5-8-16/h3-8,10-11,13H,2,9,12,14-15H2,1H3
InChIKeyYUFBDDKDMMAUBV-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.35
Rot. Bonds5

About ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26138507) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26138507
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Nameethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ncccn3n1)CC2
InChIInChI=1S/C23H22N6O3/c1-2-32-23(31)21-17-15-27(22(30)18-13-20-24-10-6-11-28(20)25-18)12-9-19(17)29(26-21)14-16-7-4-3-5-8-16/h3-8,10-11,13H,2,9,12,14-15H2,1H3
InChIKeyYUFBDDKDMMAUBV-UHFFFAOYSA-N
XLogP2.35
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
5-[2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775738
5-[2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67776672
isopropyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377632
ethyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377633
methyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57378953
ethyl 5-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylate
CID 67774271
ethyl 5-(2-(ethyl(methyl)amino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylate
CID 67775879
3-Isobutoxymethyl-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 11754521
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-isopropylpyrdin-2(1H)-one
CID 146490903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26138507) is ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ncccn3n1)CC2.
What is the InChIKey of ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is YUFBDDKDMMAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-2-32-23(31)21-17-15-27(22(30)18-13-20-24-10-6-11-28(20)25-18)12-9-19(17)29(26-21)14-16-7-4-3-5-8-16/h3-8,10-11,13H,2,9,12,14-15H2,1H3.
What are the key properties of ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 430.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26138507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).