14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol

C26H25ClFN5O2 — CID 122622209

IUPAC14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol
SMILESOC1(c2cc(F)cc(Cl)c2)CCCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C26H25ClFN5O2/c27-20-11-19(12-21(28)13-20)26(34)6-2-1-3-22-24(26)33-16-17(4-5-23(33)31-22)18-14-29-25(30-15-18)32-7-9-35-10-8-32/h4-5,11-16,34H,1-3,6-10H2
InChIKeyTYHIDMXKTYMTRI-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.38
Rot. Bonds3

About 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol

14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol (PubChem CID 122622209) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol.

Molecular Properties

Compound Name14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol
PubChem CID122622209
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol
SMILESOC1(c2cc(F)cc(Cl)c2)CCCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21
InChIInChI=1S/C26H25ClFN5O2/c27-20-11-19(12-21(28)13-20)26(34)6-2-1-3-22-24(26)33-16-17(4-5-23(33)31-22)18-14-29-25(30-15-18)32-7-9-35-10-8-32/h4-5,11-16,34H,1-3,6-10H2
InChIKeyTYHIDMXKTYMTRI-UHFFFAOYSA-N
XLogP4.38
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol?
The IUPAC name of 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol (CID 122622209) is 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol.
What is the SMILES notation for 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol?
The canonical SMILES for 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol is OC1(c2cc(F)cc(Cl)c2)CCCCc2nc3ccc(-c4cnc(N5CCOCC5)nc4)cn3c21.
What is the InChIKey of 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol?
The InChIKey is TYHIDMXKTYMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c27-20-11-19(12-21(28)13-20)26(34)6-2-1-3-22-24(26)33-16-17(4-5-23(33)31-22)18-14-29-25(30-15-18)32-7-9-35-10-8-32/h4-5,11-16,34H,1-3,6-10H2.
What are the key properties of 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol?
14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol has a molecular weight of 493.97 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-chloro-5-fluorophenyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol is sourced from PubChem (CID 122622209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).