ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate

C17H19N5O3 — CID 156654300

IUPACethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ncnc(OC)c2C)c2cc(C)cnc12
InChIInChI=1S/C17H19N5O3/c1-5-25-17(23)15-14-13(6-10(2)7-18-14)22(21-15)8-12-11(3)16(24-4)20-9-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyPDZGYIUZXNJDSV-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.07
Rot. Bonds5

About ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate

ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 156654300) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID156654300
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Nameethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ncnc(OC)c2C)c2cc(C)cnc12
InChIInChI=1S/C17H19N5O3/c1-5-25-17(23)15-14-13(6-10(2)7-18-14)22(21-15)8-12-11(3)16(24-4)20-9-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyPDZGYIUZXNJDSV-UHFFFAOYSA-N
XLogP2.07
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate with MolForge

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Related Compounds

N-(2-cyano-2,2-difluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 156700583
1-[(6-ethoxy-5-methylpyrimidin-4-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 156654263
ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 126751913
1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
CID 66327163
6-bromo-N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90466852
ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
CID 59488726
1-[(3,5-dimethylpyrazin-2-yl)methyl]-N-[(1-hydroxycyclopropyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxamide
CID 156654264
N-(2,2-difluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467158
ethyl 2-(6-bromo-3-methylpyrazolo[4,5-b]pyridin-1-yl)acetate
CID 155389731
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate (CID 156654300) is ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ncnc(OC)c2C)c2cc(C)cnc12.
What is the InChIKey of ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is PDZGYIUZXNJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-5-25-17(23)15-14-13(6-10(2)7-18-14)22(21-15)8-12-11(3)16(24-4)20-9-19-12/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 156654300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).