butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate

C20H21BrN2O2 — CID 54535131

IUPACbutan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCCC(C)OC(=O)c1c(C)ccn2ncc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C20H21BrN2O2/c1-4-14(3)25-20(24)18-13(2)9-10-23-19(18)16(12-22-23)11-15-5-7-17(21)8-6-15/h5-10,12,14H,4,11H2,1-3H3
InChIKeyYZGAOTGNQFZUQN-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.95
Rot. Bonds5

About butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate

butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate (PubChem CID 54535131) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate
PubChem CID54535131
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Namebutan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCCC(C)OC(=O)c1c(C)ccn2ncc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C20H21BrN2O2/c1-4-14(3)25-20(24)18-13(2)9-10-23-19(18)16(12-22-23)11-15-5-7-17(21)8-6-15/h5-10,12,14H,4,11H2,1-3H3
InChIKeyYZGAOTGNQFZUQN-UHFFFAOYSA-N
XLogP4.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Cyclohexyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137642480
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216
Ethyl 2-(1-methyl-4-phenylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770113
Ethyl 7-(4-bromobenzoyl)pyrrolo(1,2-B)pyridazine-5-carboxylate
CID 24212813
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 53249841

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate?
The IUPAC name of butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate (CID 54535131) is butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate.
What is the SMILES notation for butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate?
The canonical SMILES for butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate is CCC(C)OC(=O)c1c(C)ccn2ncc(Cc3ccc(Br)cc3)c12.
What is the InChIKey of butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate?
The InChIKey is YZGAOTGNQFZUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-4-14(3)25-20(24)18-13(2)9-10-23-19(18)16(12-22-23)11-15-5-7-17(21)8-6-15/h5-10,12,14H,4,11H2,1-3H3.
What are the key properties of butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate?
butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate has a molecular weight of 401.30 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-[(4-bromophenyl)methyl]-5-methylpyrazolo[1,5-a]pyridine-4-carboxylate is sourced from PubChem (CID 54535131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).