ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate

C21H19FN6O2 — CID 90180615

IUPACethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C
InChIInChI=1S/C21H19FN6O2/c1-3-30-21(29)16-12(2)18(23)26-19(25-16)17-14-8-6-10-24-20(14)28(27-17)11-13-7-4-5-9-15(13)22/h4-10H,3,11H2,1-2H3,(H2,23,25,26)
InChIKeyGOBIEKJWJKYLEV-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.14
Rot. Bonds5

About ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate

ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate (PubChem CID 90180615) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate
PubChem CID90180615
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Nameethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C
InChIInChI=1S/C21H19FN6O2/c1-3-30-21(29)16-12(2)18(23)26-19(25-16)17-14-8-6-10-24-20(14)28(27-17)11-13-7-4-5-9-15(13)22/h4-10H,3,11H2,1-2H3,(H2,23,25,26)
InChIKeyGOBIEKJWJKYLEV-UHFFFAOYSA-N
XLogP3.14
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate (CID 90180615) is ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C.
What is the InChIKey of ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate?
The InChIKey is GOBIEKJWJKYLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-3-30-21(29)16-12(2)18(23)26-19(25-16)17-14-8-6-10-24-20(14)28(27-17)11-13-7-4-5-9-15(13)22/h4-10H,3,11H2,1-2H3,(H2,23,25,26).
What are the key properties of ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate?
ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate has a molecular weight of 406.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 90180615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).