methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C20H25N3O3 — CID 126418993

IUPACmethyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn([C@H](C)[C@H]2[C@H]3CC[C@@H]4C[C@@H](C3)C[C@H]42)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H25N3O3/c1-10(17-13-4-3-12-5-11(6-13)7-14(12)17)23-8-15-18(21-22-19(15)24)16(9-23)20(25)26-2/h8-14,17H,3-7H2,1-2H3,(H,22,24)/t10-,11+,12-,13+,14-,17+/m1/s1
InChIKeyQNYKKOQWBFVXOU-OTLIMTCRSA-N
MW355.44 g/mol
LogP3.10
Rot. Bonds3

About methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 126418993) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID126418993
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn([C@H](C)[C@H]2[C@H]3CC[C@@H]4C[C@@H](C3)C[C@H]42)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H25N3O3/c1-10(17-13-4-3-12-5-11(6-13)7-14(12)17)23-8-15-18(21-22-19(15)24)16(9-23)20(25)26-2/h8-14,17H,3-7H2,1-2H3,(H,22,24)/t10-,11+,12-,13+,14-,17+/m1/s1
InChIKeyQNYKKOQWBFVXOU-OTLIMTCRSA-N
XLogP3.10
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 126418993) is methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn([C@H](C)[C@H]2[C@H]3CC[C@@H]4C[C@@H](C3)C[C@H]42)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is QNYKKOQWBFVXOU-OTLIMTCRSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-10(17-13-4-3-12-5-11(6-13)7-14(12)17)23-8-15-18(21-22-19(15)24)16(9-23)20(25)26-2/h8-14,17H,3-7H2,1-2H3,(H,22,24)/t10-,11+,12-,13+,14-,17+/m1/s1.
What are the key properties of methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 126418993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).