benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate

C24H19BrN4O3 — CID 144630304

IUPACbenzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)nc1
InChIInChI=1S/C24H19BrN4O3/c25-20-14-27-28-11-10-17(12-21(20)28)23(30)29(19-7-8-19)22-9-6-18(13-26-22)24(31)32-15-16-4-2-1-3-5-16/h1-6,9-14,19H,7-8,15H2
InChIKeyUDJZZQUZUMLRNH-UHFFFAOYSA-N
MW491.35 g/mol
LogP4.66
Rot. Bonds6

About benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate

benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate (PubChem CID 144630304) has the molecular formula C24H19BrN4O3 and a molecular weight of 491.35 g/mol. Its IUPAC name is benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate
PubChem CID144630304
Molecular FormulaC24H19BrN4O3
Molecular Weight491.35 g/mol
Exact Mass490.06
IUPAC Namebenzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)nc1
InChIInChI=1S/C24H19BrN4O3/c25-20-14-27-28-11-10-17(12-21(20)28)23(30)29(19-7-8-19)22-9-6-18(13-26-22)24(31)32-15-16-4-2-1-3-5-16/h1-6,9-14,19H,7-8,15H2
InChIKeyUDJZZQUZUMLRNH-UHFFFAOYSA-N
XLogP4.66
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate 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

3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide
CID 158403727
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
benzyl 4-bromobenzoate
CID 603177
benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651
benzyl 6-[7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carboxylate
CID 134414344
6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
CID 115268274
benzyl 3-bromo-4-(trifluoromethyl)benzoate
CID 155289043
benzyl 2-bromo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 141347115
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
benzyl benzoate
CID 2345
benzyl 5-cyclopropylbenzo[h]isoquinoline-8-carboxylate
CID 137477094

Frequently Asked Questions

What is the IUPAC name of benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate?
The IUPAC name of benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate (CID 144630304) is benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate?
The canonical SMILES for benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate is O=C(OCc1ccccc1)c1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)nc1.
What is the InChIKey of benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate?
The InChIKey is UDJZZQUZUMLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O3/c25-20-14-27-28-11-10-17(12-21(20)28)23(30)29(19-7-8-19)22-9-6-18(13-26-22)24(31)32-15-16-4-2-1-3-5-16/h1-6,9-14,19H,7-8,15H2.
What are the key properties of benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate?
benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate has a molecular weight of 491.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-[(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-cyclopropylamino]pyridine-3-carboxylate is sourced from PubChem (CID 144630304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).