ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate

C9H14N4O2 — CID 172908157

IUPACethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1NCC[C@@H]2N
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)8-7-6(12-13-8)5(10)3-4-11-7/h5,11H,2-4,10H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyUMKMIBKDGBEPDJ-YFKPBYRVSA-N
MW210.24 g/mol
LogP0.40
Rot. Bonds2

About ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate

ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 172908157) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID172908157
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1NCC[C@@H]2N
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)8-7-6(12-13-8)5(10)3-4-11-7/h5,11H,2-4,10H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyUMKMIBKDGBEPDJ-YFKPBYRVSA-N
XLogP0.40
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166528664
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CID 26599216
ethyl (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 6950091
ethyl (4S,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 852806
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CID 156721823
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 137012585
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide;ethyl (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylate
CID 158488978

Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate (CID 172908157) is ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1n[nH]c2c1NCC[C@@H]2N.
What is the InChIKey of ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is UMKMIBKDGBEPDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-15-9(14)8-7-6(12-13-8)5(10)3-4-11-7/h5,11H,2-4,10H2,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate?
ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 172908157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).