ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate

C15H22N4O2 — CID 51599956

IUPACethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate
SMILESCCOC(=O)CC[C@H](C)Nc1n[nH]c2nc(C)cc(C)c12
InChIInChI=1S/C15H22N4O2/c1-5-21-12(20)7-6-10(3)16-14-13-9(2)8-11(4)17-15(13)19-18-14/h8,10H,5-7H2,1-4H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyKQAXAIJEAVXHGM-JTQLQIEISA-N
MW290.37 g/mol
LogP2.72
Rot. Bonds6

About ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate

ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate (PubChem CID 51599956) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate
PubChem CID51599956
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nameethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate
SMILESCCOC(=O)CC[C@H](C)Nc1n[nH]c2nc(C)cc(C)c12
InChIInChI=1S/C15H22N4O2/c1-5-21-12(20)7-6-10(3)16-14-13-9(2)8-11(4)17-15(13)19-18-14/h8,10H,5-7H2,1-4H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyKQAXAIJEAVXHGM-JTQLQIEISA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate?
The IUPAC name of ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate (CID 51599956) is ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate.
What is the SMILES notation for ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate?
The canonical SMILES for ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate is CCOC(=O)CC[C@H](C)Nc1n[nH]c2nc(C)cc(C)c12.
What is the InChIKey of ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate?
The InChIKey is KQAXAIJEAVXHGM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-21-12(20)7-6-10(3)16-14-13-9(2)8-11(4)17-15(13)19-18-14/h8,10H,5-7H2,1-4H3,(H2,16,17,18,19)/t10-/m0/s1.
What are the key properties of ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate?
ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate has a molecular weight of 290.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate is sourced from PubChem (CID 51599956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).