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

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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).