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

C16H23N3O3 — CID 155702382

IUPACethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC
InChIInChI=1S/C16H23N3O3/c1-5-22-15(20)13-10-19-12(9-14(13)17-4)8-11(18-19)6-7-16(2,3)21/h8-10,17,21H,5-7H2,1-4H3
InChIKeyYTRZBQPVBIVPNQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.26
Rot. Bonds6

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

ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155702382) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155702382
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC
InChIInChI=1S/C16H23N3O3/c1-5-22-15(20)13-10-19-12(9-14(13)17-4)8-11(18-19)6-7-16(2,3)21/h8-10,17,21H,5-7H2,1-4H3
InChIKeyYTRZBQPVBIVPNQ-UHFFFAOYSA-N
XLogP2.26
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155167227
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
4-(5-amino-6-ethoxypyrazolo[1,5-a]pyridin-2-yl)-2-methylbutan-2-ol
CID 155167053
ethyl 2-(1,1-dioxothian-3-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186565
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155167042
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186639
ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186426
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-2-(methylamino)benzoate
CID 139667708
ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 155346646
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155702382) is ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC.
What is the InChIKey of ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is YTRZBQPVBIVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-22-15(20)13-10-19-12(9-14(13)17-4)8-11(18-19)6-7-16(2,3)21/h8-10,17,21H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-3-methylbutyl)-5-(methylamino)pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155702382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).