4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one

C21H18FN7O2 — CID 10180351

IUPAC4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1CCOCC1=O
InChIInChI=1S/C21H18FN7O2/c22-15-6-2-1-4-13(15)11-29-21-14(5-3-7-24-21)18(27-29)20-25-10-16(19(23)26-20)28-8-9-31-12-17(28)30/h1-7,10H,8-9,11-12H2,(H2,23,25,26)
InChIKeyBLXAYCBBXUWJGJ-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.02
Rot. Bonds4

About 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one

4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one (PubChem CID 10180351) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one
PubChem CID10180351
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1CCOCC1=O
InChIInChI=1S/C21H18FN7O2/c22-15-6-2-1-4-13(15)11-29-21-14(5-3-7-24-21)18(27-29)20-25-10-16(19(23)26-20)28-8-9-31-12-17(28)30/h1-7,10H,8-9,11-12H2,(H2,23,25,26)
InChIKeyBLXAYCBBXUWJGJ-UHFFFAOYSA-N
XLogP2.02
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one?
The IUPAC name of 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one (CID 10180351) is 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one?
The canonical SMILES for 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1CCOCC1=O.
What is the InChIKey of 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one?
The InChIKey is BLXAYCBBXUWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c22-15-6-2-1-4-13(15)11-29-21-14(5-3-7-24-21)18(27-29)20-25-10-16(19(23)26-20)28-8-9-31-12-17(28)30/h1-7,10H,8-9,11-12H2,(H2,23,25,26).
What are the key properties of 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one?
4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one has a molecular weight of 419.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]morpholin-3-one is sourced from PubChem (CID 10180351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).