ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C15H14ClN5O2 — CID 135253375

IUPACethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2Cc2ccncn2)c1Cl
InChIInChI=1S/C15H14ClN5O2/c1-3-23-15(22)11-6-18-14-12(13(11)16)9(2)20-21(14)7-10-4-5-17-8-19-10/h4-6,8H,3,7H2,1-2H3
InChIKeyWYULKGGSSIPADZ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.41
Rot. Bonds4

About ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 135253375) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID135253375
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Nameethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2Cc2ccncn2)c1Cl
InChIInChI=1S/C15H14ClN5O2/c1-3-23-15(22)11-6-18-14-12(13(11)16)9(2)20-21(14)7-10-4-5-17-8-19-10/h4-6,8H,3,7H2,1-2H3
InChIKeyWYULKGGSSIPADZ-UHFFFAOYSA-N
XLogP2.41
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 145130868
ethyl 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 146500521
ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11301265
ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 122442879
4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253071
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 10264278
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 135253375) is ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2Cc2ccncn2)c1Cl.
What is the InChIKey of ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WYULKGGSSIPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-3-23-15(22)11-6-18-14-12(13(11)16)9(2)20-21(14)7-10-4-5-17-8-19-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 331.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135253375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).