ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride

C16H24ClN5O2 — CID 68580193

IUPACethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NC1CCNCC1.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-3-21-15-12(10-19-21)14(20-11-5-7-17-8-6-11)13(9-18-15)16(22)23-4-2;/h9-11,17H,3-8H2,1-2H3,(H,18,20);1H
InChIKeyAPANIRKOTOKAGA-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.21
Rot. Bonds5

About ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride

ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride (PubChem CID 68580193) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
PubChem CID68580193
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC Nameethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1NC1CCNCC1.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-3-21-15-12(10-19-21)14(20-11-5-7-17-8-6-11)13(9-18-15)16(22)23-4-2;/h9-11,17H,3-8H2,1-2H3,(H,18,20);1H
InChIKeyAPANIRKOTOKAGA-UHFFFAOYSA-N
XLogP2.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(1-ethoxyethenyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-ol
CID 70311320
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydron;chloride
CID 91980760
1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87790704
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561081
N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70317616
1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629470
2-[2-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethanesulfinic acid
CID 70343703
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 123229552

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride (CID 68580193) is ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(cnn2CC)c1NC1CCNCC1.Cl.
What is the InChIKey of ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The InChIKey is APANIRKOTOKAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-3-21-15-12(10-19-21)14(20-11-5-7-17-8-6-11)13(9-18-15)16(22)23-4-2;/h9-11,17H,3-8H2,1-2H3,(H,18,20);1H.
What are the key properties of ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 68580193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).