methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

C11H12ClN3O2 — CID 102614521

IUPACmethyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(Cl)c(C(=O)OC)cnc21
InChIInChI=1S/C11H12ClN3O2/c1-3-4-15-10-7(6-14-15)9(12)8(5-13-10)11(16)17-2/h5-6H,3-4H2,1-2H3
InChIKeyXJKAEQLKDFWCIG-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.28
Rot. Bonds3

About methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 102614521) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID102614521
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Namemethyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(Cl)c(C(=O)OC)cnc21
InChIInChI=1S/C11H12ClN3O2/c1-3-4-15-10-7(6-14-15)9(12)8(5-13-10)11(16)17-2/h5-6H,3-4H2,1-2H3
InChIKeyXJKAEQLKDFWCIG-UHFFFAOYSA-N
XLogP2.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(heptan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70317616
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 14590541
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
methyl 1-pentylindazole-4-carboxylate
CID 90379283
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
CID 70427626
4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58878091
methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 102614521) is methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCn1ncc2c(Cl)c(C(=O)OC)cnc21.
What is the InChIKey of methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is XJKAEQLKDFWCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-3-4-15-10-7(6-14-15)9(12)8(5-13-10)11(16)17-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 102614521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).