tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate

C19H25BrN2O2 — CID 168979598

IUPACtert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate
SMILESCC(C)(C)OC(=O)CCCc1nn2ccc(Br)cc2c1C1CCC1
InChIInChI=1S/C19H25BrN2O2/c1-19(2,3)24-17(23)9-5-8-15-18(13-6-4-7-13)16-12-14(20)10-11-22(16)21-15/h10-13H,4-9H2,1-3H3
InChIKeyYGECBZGBZRAYPD-UHFFFAOYSA-N
MW393.33 g/mol
LogP5.03
Rot. Bonds5

About tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate

tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate (PubChem CID 168979598) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate
PubChem CID168979598
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Nametert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate
SMILESCC(C)(C)OC(=O)CCCc1nn2ccc(Br)cc2c1C1CCC1
InChIInChI=1S/C19H25BrN2O2/c1-19(2,3)24-17(23)9-5-8-15-18(13-6-4-7-13)16-12-14(20)10-11-22(16)21-15/h10-13H,4-9H2,1-3H3
InChIKeyYGECBZGBZRAYPD-UHFFFAOYSA-N
XLogP5.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate 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

5-bromo-3-cyclobutyl-2-methylpyrazolo[1,5-a]pyridine;5-hydroxy-5-methylhexan-3-one
CID 168979554
8-(3-cyclobutyl-5-methoxypyrazolo[1,5-a]pyridin-2-yl)-2-cyclopentyl-2-hydroxyoctan-4-one
CID 170081416
2-(2-bromo-3-cyclohexyl-6-methylindol-1-yl)ethanamine;tert-butyl 4-(2-bromo-3-cyclohexyl-6-methylindol-1-yl)butanoate;bis(carbon dioxide)
CID 158999290
tert-butyl 4-(5-bromothiophen-2-yl)butanoate
CID 79494944
N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 165004288
tert-butyl 5-(4-bromophenyl)-5-oxopentanoate
CID 146502314
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
ditert-butyl pentanedioate
CID 3016405
methyl 4-bromo-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]pyrrole-2-carboxylate
CID 130314041
tert-butyl 2-(5-bromobenzimidazol-1-yl)acetate
CID 139271906
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140
tert-butyl 4-[(1R,9R,10S)-10-hydroxy-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]butanoate
CID 158538540

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate?
The IUPAC name of tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate (CID 168979598) is tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate.
What is the SMILES notation for tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate?
The canonical SMILES for tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate is CC(C)(C)OC(=O)CCCc1nn2ccc(Br)cc2c1C1CCC1.
What is the InChIKey of tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate?
The InChIKey is YGECBZGBZRAYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c1-19(2,3)24-17(23)9-5-8-15-18(13-6-4-7-13)16-12-14(20)10-11-22(16)21-15/h10-13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate?
tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate has a molecular weight of 393.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-3-cyclobutylpyrazolo[1,5-a]pyridin-2-yl)butanoate is sourced from PubChem (CID 168979598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).