tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate

C14H24N4O2 — CID 140878260

IUPACtert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate
SMILESCC(C)n1ncc2c1C(NC(=O)OC(C)(C)C)CCN2
InChIInChI=1S/C14H24N4O2/c1-9(2)18-12-10(6-7-15-11(12)8-16-18)17-13(19)20-14(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,17,19)
InChIKeyXQMQLTODTQUFSK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate

tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate (PubChem CID 140878260) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate
PubChem CID140878260
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate
SMILESCC(C)n1ncc2c1C(NC(=O)OC(C)(C)C)CCN2
InChIInChI=1S/C14H24N4O2/c1-9(2)18-12-10(6-7-15-11(12)8-16-18)17-13(19)20-14(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,17,19)
InChIKeyXQMQLTODTQUFSK-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate 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 N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-(1,4,5,6,7,8-hexahydropyrazolo[5,4-b]azepin-4-yl)carbamate
CID 137226277
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165490368
tert-butyl N-(2-oxo-3,4-dihydro-1H-1,6-naphthyridin-3-yl)carbamate
CID 59649653
tert-butyl N-[(3S)-2-sulfanylideneazepan-3-yl]carbamate
CID 91546648
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246
tert-butyl N-(6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl)carbamate
CID 123835459
tert-butyl N-[(7S)-6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl]carbamate
CID 90351309
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate?
The IUPAC name of tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate (CID 140878260) is tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate is CC(C)n1ncc2c1C(NC(=O)OC(C)(C)C)CCN2.
What is the InChIKey of tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate?
The InChIKey is XQMQLTODTQUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)18-12-10(6-7-15-11(12)8-16-18)17-13(19)20-14(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate?
tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl)carbamate is sourced from PubChem (CID 140878260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).