ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate

C16H17N5O2 — CID 176643568

IUPACethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3c(C)nc(N)nc3C)cc12
InChIInChI=1S/C16H17N5O2/c1-4-23-15(22)12-8-18-21-6-5-11(7-13(12)21)14-9(2)19-16(17)20-10(14)3/h5-8H,4H2,1-3H3,(H2,17,19,20)
InChIKeyXAIWLLRUFJRSAQ-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.17
Rot. Bonds3

About ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 176643568) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID176643568
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nameethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(-c3c(C)nc(N)nc3C)cc12
InChIInChI=1S/C16H17N5O2/c1-4-23-15(22)12-8-18-21-6-5-11(7-13(12)21)14-9(2)19-16(17)20-10(14)3/h5-8H,4H2,1-3H3,(H2,17,19,20)
InChIKeyXAIWLLRUFJRSAQ-UHFFFAOYSA-N
XLogP2.17
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556795
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[[(E)-3-methylsulfanylprop-2-enoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 166330114
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656041
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 176643568) is ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(-c3c(C)nc(N)nc3C)cc12.
What is the InChIKey of ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XAIWLLRUFJRSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-23-15(22)12-8-18-21-6-5-11(7-13(12)21)14-9(2)19-16(17)20-10(14)3/h5-8H,4H2,1-3H3,(H2,17,19,20).
What are the key properties of ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 176643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).