ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate

C22H21FN8O2 — CID 66635587

IUPACethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
SMILESCCOC(=O)N1CCNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21
InChIInChI=1S/C22H21FN8O2/c1-2-33-22(32)30-11-10-25-20-17(30)18(24)27-19(28-20)16-14-7-5-9-26-21(14)31(29-16)12-13-6-3-4-8-15(13)23/h3-9H,2,10-12H2,1H3,(H3,24,25,27,28)
InChIKeyMVZIMAZWHGWVGI-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.05
Rot. Bonds4

About ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate

ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate (PubChem CID 66635587) has the molecular formula C22H21FN8O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
PubChem CID66635587
Molecular FormulaC22H21FN8O2
Molecular Weight448.46 g/mol
Exact Mass448.18
IUPAC Nameethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate
SMILESCCOC(=O)N1CCNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21
InChIInChI=1S/C22H21FN8O2/c1-2-33-22(32)30-11-10-25-20-17(30)18(24)27-19(28-20)16-14-7-5-9-26-21(14)31(29-16)12-13-6-3-4-8-15(13)23/h3-9H,2,10-12H2,1H3,(H3,24,25,27,28)
InChIKeyMVZIMAZWHGWVGI-UHFFFAOYSA-N
XLogP3.05
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate (CID 66635587) is ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate is CCOC(=O)N1CCNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21.
What is the InChIKey of ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
The InChIKey is MVZIMAZWHGWVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2/c1-2-33-22(32)30-11-10-25-20-17(30)18(24)27-19(28-20)16-14-7-5-9-26-21(14)31(29-16)12-13-6-3-4-8-15(13)23/h3-9H,2,10-12H2,1H3,(H3,24,25,27,28).
What are the key properties of ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate?
ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate has a molecular weight of 448.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,8-dihydro-6H-pteridine-5-carboxylate is sourced from PubChem (CID 66635587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).