tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate

C29H32N2O2 — CID 19032470

IUPACtert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate
SMILESCCCCc1nn2ccccc2c1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C29H32N2O2/c1-5-6-13-26-25(27-14-9-10-19-31(27)30-26)20-21-15-17-22(18-16-21)23-11-7-8-12-24(23)28(32)33-29(2,3)4/h7-12,14-19H,5-6,13,20H2,1-4H3
InChIKeyQKDPPPNAIPVNRH-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.89
Rot. Bonds7

About tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate

tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate (PubChem CID 19032470) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate
PubChem CID19032470
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Nametert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate
SMILESCCCCc1nn2ccccc2c1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C29H32N2O2/c1-5-6-13-26-25(27-14-9-10-19-31(27)30-26)20-21-15-17-22(18-16-21)23-11-7-8-12-24(23)28(32)33-29(2,3)4/h7-12,14-19H,5-6,13,20H2,1-4H3
InChIKeyQKDPPPNAIPVNRH-UHFFFAOYSA-N
XLogP6.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate 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

tert-butyl 2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoate
CID 10023303
tert-butyl 2-[4-[(2-butyl-4-formylimidazol-1-yl)methyl]phenyl]benzoate
CID 140986346
2-[4-[[3-butyl-5-(hydroxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoic acid
CID 67939623
tert-butyl 2-[4-[(3-butyl-5-oxo-1,2,4-oxadiazol-4-yl)methyl]phenyl]benzoate
CID 57006418
tert-butyl 2-[4-[(4-acetamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoate
CID 10323602
tert-butyl 2-[4-[(6-amino-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoate
CID 10389303
2-butyl-1-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15069196
tert-butyl 2-[4-[(2-butyl-7-methoxybenzimidazol-1-yl)methyl]phenyl]benzoate
CID 15069223
methyl 2-butyl-5-(hydroxymethyl)-3-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-4H-imidazole-5-carboxylate
CID 70050048
methyl 2-[4-[(7-butyl-3-methyl-2,5-dioxo-1,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)methyl]phenyl]benzoate
CID 136595347
tert-butyl 2-[4-[[6-(2-anilinoethylcarbamoyl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572326
tert-butyl 2-[4-[(2-butyl-5-cyano-4-propanoylimidazol-1-yl)methyl]phenyl]benzoate
CID 19036156

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate?
The IUPAC name of tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate (CID 19032470) is tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate.
What is the SMILES notation for tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate?
The canonical SMILES for tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate is CCCCc1nn2ccccc2c1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate?
The InChIKey is QKDPPPNAIPVNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-5-6-13-26-25(27-14-9-10-19-31(27)30-26)20-21-15-17-22(18-16-21)23-11-7-8-12-24(23)28(32)33-29(2,3)4/h7-12,14-19H,5-6,13,20H2,1-4H3.
What are the key properties of tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate?
tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate has a molecular weight of 440.59 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate is sourced from PubChem (CID 19032470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).