ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate

C15H15N5O2 — CID 133440185

IUPACethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc3ccnn23)nc1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-4-13(17-9-11)18-10-12-5-7-16-14-6-8-19-20(12)14/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyRLDWBKVODQPCNF-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.91
Rot. Bonds5

About ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate

ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate (PubChem CID 133440185) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
PubChem CID133440185
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccnc3ccnn23)nc1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-4-13(17-9-11)18-10-12-5-7-16-14-6-8-19-20(12)14/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyRLDWBKVODQPCNF-UHFFFAOYSA-N
XLogP1.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
CID 133440136
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate (CID 133440185) is ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccnc3ccnn23)nc1.
What is the InChIKey of ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is RLDWBKVODQPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15(21)11-3-4-13(17-9-11)18-10-12-5-7-16-14-6-8-19-20(12)14/h3-9H,2,10H2,1H3,(H,17,18).
What are the key properties of ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate?
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 133440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).