methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate

C14H11BrN4O2 — CID 123755851

IUPACmethyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ccnc(N)c12
InChIInChI=1S/C14H11BrN4O2/c1-21-14(20)12-11-10(5-6-17-13(11)16)19(18-12)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyQCRRVEDDBOYYLK-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate

methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 123755851) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID123755851
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Namemethyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(Br)c2)c2ccnc(N)c12
InChIInChI=1S/C14H11BrN4O2/c1-21-14(20)12-11-10(5-6-17-13(11)16)19(18-12)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyQCRRVEDDBOYYLK-UHFFFAOYSA-N
XLogP2.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate (CID 123755851) is methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1nn(-c2cccc(Br)c2)c2ccnc(N)c12.
What is the InChIKey of methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is QCRRVEDDBOYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-21-14(20)12-11-10(5-6-17-13(11)16)19(18-12)9-4-2-3-8(15)7-9/h2-7H,1H3,(H2,16,17).
What are the key properties of methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 347.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(3-bromophenyl)pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 123755851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).