ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate

C15H21N3O3 — CID 155167227

IUPACethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1N
InChIInChI=1S/C15H21N3O3/c1-4-21-14(19)12-9-18-11(8-13(12)16)7-10(17-18)5-6-15(2,3)20/h7-9,20H,4-6,16H2,1-3H3
InChIKeyAQKUOIMDCOZFJH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.80
Rot. Bonds5

About ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155167227) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155167227
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1N
InChIInChI=1S/C15H21N3O3/c1-4-21-14(19)12-9-18-11(8-13(12)16)7-10(17-18)5-6-15(2,3)20/h7-9,20H,4-6,16H2,1-3H3
InChIKeyAQKUOIMDCOZFJH-UHFFFAOYSA-N
XLogP1.80
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155702382
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155702373
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947
6-ethoxy-2-methylpyrazolo[1,5-a]pyridin-5-amine
CID 166507866
ethyl 5-(trifluoromethyl)-1-(1,1,3-trihydroxy-3-methylbutyl)pyrazole-4-carboxylate
CID 169239059
5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 151930847
ethyl 2-(1,1-dioxothian-3-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186565
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
diethyl 1-(1H-1,2,4-triazol-5-yl)pyrrole-3,4-dicarboxylate
CID 101478671
ethyl 5-amino-2-(4-tert-butylimidazol-1-yl)-3-fluorobenzoate
CID 135150931

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155167227) is ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1N.
What is the InChIKey of ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is AQKUOIMDCOZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-21-14(19)12-9-18-11(8-13(12)16)7-10(17-18)5-6-15(2,3)20/h7-9,20H,4-6,16H2,1-3H3.
What are the key properties of ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155167227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).