ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

C19H30N4O2 — CID 70317616

IUPACethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCC(CCC)Nc1c(C(=O)OCC)cnc2c1cnn2CCC
InChIInChI=1S/C19H30N4O2/c1-5-9-14(10-6-2)22-17-15-13-21-23(11-7-3)18(15)20-12-16(17)19(24)25-8-4/h12-14H,5-11H2,1-4H3,(H,20,22)
InChIKeyAMQJQWMJQWLDCL-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.40
Rot. Bonds10

About ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 70317616) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID70317616
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nameethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCC(CCC)Nc1c(C(=O)OCC)cnc2c1cnn2CCC
InChIInChI=1S/C19H30N4O2/c1-5-9-14(10-6-2)22-17-15-13-21-23(11-7-3)18(15)20-12-16(17)19(24)25-8-4/h12-14H,5-11H2,1-4H3,(H,20,22)
InChIKeyAMQJQWMJQWLDCL-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[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

ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydron;chloride
CID 91980760
methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 102614521
ethyl 1-ethyl-4-(piperidin-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 68580193
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561081
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2S)-3-methylbutan-2-amine
CID 69221780
1-ethyl-4-[[(2R)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2R)-3-methylbutan-2-amine
CID 69221425
ethyl 1-[(2R)-2-chloro-2-(4-chlorophenyl)ethyl]-4-[2-(4-methoxyphenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 53308887
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
ethyl 5-(difluoromethyl)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 63235025
ethyl 1-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475737

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 70317616) is ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCC(CCC)Nc1c(C(=O)OCC)cnc2c1cnn2CCC.
What is the InChIKey of ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is AMQJQWMJQWLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-9-14(10-6-2)22-17-15-13-21-23(11-7-3)18(15)20-12-16(17)19(24)25-8-4/h12-14H,5-11H2,1-4H3,(H,20,22).
What are the key properties of ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 346.48 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 70317616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).