ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O3 — CID 44561084

IUPACethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C(C)C)c1NC1CCOCC1
InChIInChI=1S/C17H24N4O3/c1-4-24-17(22)14-9-18-16-13(10-19-21(16)11(2)3)15(14)20-12-5-7-23-8-6-12/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyMWPUGUZGMRXCCB-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.78
Rot. Bonds5

About ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 44561084) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID44561084
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C(C)C)c1NC1CCOCC1
InChIInChI=1S/C17H24N4O3/c1-4-24-17(22)14-9-18-16-13(10-19-21(16)11(2)3)15(14)20-12-5-7-23-8-6-12/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyMWPUGUZGMRXCCB-UHFFFAOYSA-N
XLogP2.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate 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

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
Ridine-5-carboxylic acid ethyl ester
CID 14590509
Pyrazolo pyridine, 11
CID 44246252
1-Ethyl-5-[3-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,2,4-Oxadiazol-5-Yl]-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
CID 10455087
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 44561084) is ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C(C)C)c1NC1CCOCC1.
What is the InChIKey of ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is MWPUGUZGMRXCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-24-17(22)14-9-18-16-13(10-19-21(16)11(2)3)15(14)20-12-5-7-23-8-6-12/h9-12H,4-8H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 44561084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).