azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone

C13H15BrN4O — CID 162493670

IUPACazepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
SMILESO=C(c1cc2n[nH]c(Br)c2cn1)N1CCCCCC1
InChIInChI=1S/C13H15BrN4O/c14-12-9-8-15-11(7-10(9)16-17-12)13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,16,17)
InChIKeyXXJJRNSQMIQBQV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.74
Rot. Bonds1

About azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone

azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone (PubChem CID 162493670) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
PubChem CID162493670
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Nameazepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
SMILESO=C(c1cc2n[nH]c(Br)c2cn1)N1CCCCCC1
InChIInChI=1S/C13H15BrN4O/c14-12-9-8-15-11(7-10(9)16-17-12)13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,16,17)
InChIKeyXXJJRNSQMIQBQV-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872040
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447
azetidin-1-yl-(4-bromo-2-pyridinyl)methanone
CID 53484535
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The IUPAC name of azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone (CID 162493670) is azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone is O=C(c1cc2n[nH]c(Br)c2cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The InChIKey is XXJJRNSQMIQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-12-9-8-15-11(7-10(9)16-17-12)13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,16,17).
What are the key properties of azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone has a molecular weight of 323.19 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone is sourced from PubChem (CID 162493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).