[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone

C23H20FN5O3 — CID 134326850

IUPAC[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C23H20FN5O3/c1-31-18-4-2-3-16(24)19(18)22-25-13-17-21(26-22)20(28-27-17)14-5-7-15(8-6-14)23(30)29-9-11-32-12-10-29/h2-8,13H,9-12H2,1H3,(H,27,28)
InChIKeyFUUVDAKRSOGWGK-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.31
Rot. Bonds4

About [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 134326850) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID134326850
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C23H20FN5O3/c1-31-18-4-2-3-16(24)19(18)22-25-13-17-21(26-22)20(28-27-17)14-5-7-15(8-6-14)23(30)29-9-11-32-12-10-29/h2-8,13H,9-12H2,1H3,(H,27,28)
InChIKeyFUUVDAKRSOGWGK-UHFFFAOYSA-N
XLogP3.31
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone (CID 134326850) is [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1.
What is the InChIKey of [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is FUUVDAKRSOGWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-31-18-4-2-3-16(24)19(18)22-25-13-17-21(26-22)20(28-27-17)14-5-7-15(8-6-14)23(30)29-9-11-32-12-10-29/h2-8,13H,9-12H2,1H3,(H,27,28).
What are the key properties of [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 433.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134326850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).