4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]

C25H24N6O3 — CID 122622565

IUPAC4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]
SMILESc1ccc2c(c1)COCC21COCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)nc3n21
InChIInChI=1S/C25H24N6O3/c1-2-4-19-17(3-1)13-33-15-25(19)16-34-14-22-28-21-6-5-20(29-23(21)31(22)25)18-11-26-24(27-12-18)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13-16H2
InChIKeyUHGJNQPBNIAVQS-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.53
Rot. Bonds2

About 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]

4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] (PubChem CID 122622565) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene].

Molecular Properties

Compound Name4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]
PubChem CID122622565
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]
SMILESc1ccc2c(c1)COCC21COCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)nc3n21
InChIInChI=1S/C25H24N6O3/c1-2-4-19-17(3-1)13-33-15-25(19)16-34-14-22-28-21-6-5-20(29-23(21)31(22)25)18-11-26-24(27-12-18)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13-16H2
InChIKeyUHGJNQPBNIAVQS-UHFFFAOYSA-N
XLogP2.53
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]?
The IUPAC name of 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] (CID 122622565) is 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene].
What is the SMILES notation for 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]?
The canonical SMILES for 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] is c1ccc2c(c1)COCC21COCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)nc3n21.
What is the InChIKey of 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]?
The InChIKey is UHGJNQPBNIAVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-2-4-19-17(3-1)13-33-15-25(19)16-34-14-22-28-21-6-5-20(29-23(21)31(22)25)18-11-26-24(27-12-18)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13-16H2.
What are the key properties of 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene]?
4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] has a molecular weight of 456.51 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2-morpholin-4-ylpyrimidin-5-yl)spiro[1,3-dihydroisochromene-4,13'-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene] is sourced from PubChem (CID 122622565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).