tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate

C24H32ClN5O2 — CID 118958752

IUPACtert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate
SMILESCC(C)n1ncc2c(Cl)cc(-c3cccc(CCNCCNC(=O)OC(C)(C)C)c3)nc21
InChIInChI=1S/C24H32ClN5O2/c1-16(2)30-22-19(15-28-30)20(25)14-21(29-22)18-8-6-7-17(13-18)9-10-26-11-12-27-23(31)32-24(3,4)5/h6-8,13-16,26H,9-12H2,1-5H3,(H,27,31)
InChIKeyDIGCMNNOXAEMOJ-UHFFFAOYSA-N
MW458.01 g/mol
LogP4.99
Rot. Bonds8

About tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate

tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate (PubChem CID 118958752) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate
PubChem CID118958752
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Nametert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate
SMILESCC(C)n1ncc2c(Cl)cc(-c3cccc(CCNCCNC(=O)OC(C)(C)C)c3)nc21
InChIInChI=1S/C24H32ClN5O2/c1-16(2)30-22-19(15-28-30)20(25)14-21(29-22)18-8-6-7-17(13-18)9-10-26-11-12-27-23(31)32-24(3,4)5/h6-8,13-16,26H,9-12H2,1-5H3,(H,27,31)
InChIKeyDIGCMNNOXAEMOJ-UHFFFAOYSA-N
XLogP4.99
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate
CID 90425016
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
ethyl 6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 131980780
6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973231
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
[2-(2,6-dichloroanilino)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800169
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
tert-butyl N-[3-[3-[9-ethyl-6-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbazol-3-yl]phenyl]propyl]carbamate
CID 59268479
tert-butyl N-[2-[3-(2-methyl-3-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]ethyl]carbamate
CID 165398915
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
tert-butyl N-[2-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]-N-methylcarbamate;tris(N-methyl-N-[[3-[4-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]butan-1-amine);1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161403353
tert-butyl N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111358247

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate (CID 118958752) is tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate is CC(C)n1ncc2c(Cl)cc(-c3cccc(CCNCCNC(=O)OC(C)(C)C)c3)nc21.
What is the InChIKey of tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate?
The InChIKey is DIGCMNNOXAEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2/c1-16(2)30-22-19(15-28-30)20(25)14-21(29-22)18-8-6-7-17(13-18)9-10-26-11-12-27-23(31)32-24(3,4)5/h6-8,13-16,26H,9-12H2,1-5H3,(H,27,31).
What are the key properties of tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate?
tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate has a molecular weight of 458.01 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate is sourced from PubChem (CID 118958752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).