4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C22H24FN5O2 — CID 110172246

IUPAC4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2
InChIKeyJSTFVURDKYEFIQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.50
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 110172246) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID110172246
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2
InChIKeyJSTFVURDKYEFIQ-UHFFFAOYSA-N
XLogP2.50
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 110172246) is 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is JSTFVURDKYEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2.
What are the key properties of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 409.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 110172246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).