tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate

C26H33N5O3 — CID 55736757

IUPACtert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)n1ncc2c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H33N5O3/c1-17(2)31-23-21(16-27-31)20(15-22(29-23)18-9-7-6-8-10-18)24(32)30-13-11-19(12-14-30)28-25(33)34-26(3,4)5/h6-10,15-17,19H,11-14H2,1-5H3,(H,28,33)
InChIKeyHMYDDWVGFPASNA-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.81
Rot. Bonds4

About tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate (PubChem CID 55736757) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
PubChem CID55736757
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Nametert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)n1ncc2c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H33N5O3/c1-17(2)31-23-21(16-27-31)20(15-22(29-23)18-9-7-6-8-10-18)24(32)30-13-11-19(12-14-30)28-25(33)34-26(3,4)5/h6-10,15-17,19H,11-14H2,1-5H3,(H,28,33)
InChIKeyHMYDDWVGFPASNA-UHFFFAOYSA-N
XLogP4.81
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808184
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46551293
N-(4-aminocyclohexyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119476936
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
CID 56532547
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 26004820
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate (CID 55736757) is tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate is CC(C)n1ncc2c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is HMYDDWVGFPASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17(2)31-23-21(16-27-31)20(15-22(29-23)18-9-7-6-8-10-18)24(32)30-13-11-19(12-14-30)28-25(33)34-26(3,4)5/h6-10,15-17,19H,11-14H2,1-5H3,(H,28,33).
What are the key properties of tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).