2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane

C24H23FN4O — CID 162139339

IUPAC2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane
SMILESFc1ccc(Oc2cncnc2N2CC3(CCC3)C2)c(-c2cccnc2C2CC2)c1
InChIInChI=1S/C24H23FN4O/c25-17-6-7-20(19(11-17)18-3-1-10-27-22(18)16-4-5-16)30-21-12-26-15-28-23(21)29-13-24(14-29)8-2-9-24/h1,3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2
InChIKeyZJSICOSSUGJDLB-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.34
Rot. Bonds5

About 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane

2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane (PubChem CID 162139339) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane
PubChem CID162139339
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane
SMILESFc1ccc(Oc2cncnc2N2CC3(CCC3)C2)c(-c2cccnc2C2CC2)c1
InChIInChI=1S/C24H23FN4O/c25-17-6-7-20(19(11-17)18-3-1-10-27-22(18)16-4-5-16)30-21-12-26-15-28-23(21)29-13-24(14-29)8-2-9-24/h1,3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2
InChIKeyZJSICOSSUGJDLB-UHFFFAOYSA-N
XLogP5.34
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane (CID 162139339) is 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane is Fc1ccc(Oc2cncnc2N2CC3(CCC3)C2)c(-c2cccnc2C2CC2)c1.
What is the InChIKey of 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane?
The InChIKey is ZJSICOSSUGJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-17-6-7-20(19(11-17)18-3-1-10-27-22(18)16-4-5-16)30-21-12-26-15-28-23(21)29-13-24(14-29)8-2-9-24/h1,3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2.
What are the key properties of 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane?
2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane has a molecular weight of 402.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 162139339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).