[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid

C15H16BrN5O2 — CID 175735084

IUPAC[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid
SMILESN#Cc1cnn2cc(Br)cc(N3CCCC(NC(=O)O)CC3)c12
InChIInChI=1S/C15H16BrN5O2/c16-11-6-13(14-10(7-17)8-18-21(14)9-11)20-4-1-2-12(3-5-20)19-15(22)23/h6,8-9,12,19H,1-5H2,(H,22,23)
InChIKeyRRQUUEAHIVBION-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.59
Rot. Bonds2

About [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid

[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid (PubChem CID 175735084) has the molecular formula C15H16BrN5O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid
PubChem CID175735084
Molecular FormulaC15H16BrN5O2
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid
SMILESN#Cc1cnn2cc(Br)cc(N3CCCC(NC(=O)O)CC3)c12
InChIInChI=1S/C15H16BrN5O2/c16-11-6-13(14-10(7-17)8-18-21(14)9-11)20-4-1-2-12(3-5-20)19-15(22)23/h6,8-9,12,19H,1-5H2,(H,22,23)
InChIKeyRRQUUEAHIVBION-UHFFFAOYSA-N
XLogP2.59
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid 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

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide
CID 167038856
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134497288
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921021
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 163261990

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid?
The IUPAC name of [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid (CID 175735084) is [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid.
What is the SMILES notation for [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid?
The canonical SMILES for [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid is N#Cc1cnn2cc(Br)cc(N3CCCC(NC(=O)O)CC3)c12.
What is the InChIKey of [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid?
The InChIKey is RRQUUEAHIVBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2/c16-11-6-13(14-10(7-17)8-18-21(14)9-11)20-4-1-2-12(3-5-20)19-15(22)23/h6,8-9,12,19H,1-5H2,(H,22,23).
What are the key properties of [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid?
[1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid has a molecular weight of 378.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)azepan-4-yl]carbamic acid is sourced from PubChem (CID 175735084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).