6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one

C27H28FN5O3 — CID 135270994

IUPAC6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one
SMILESCC(F)Oc1ccccc1C1CCCn2c(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3n21
InChIInChI=1S/C27H28FN5O3/c1-18(28)36-25-7-3-2-5-21(25)23-6-4-10-32-26(34)22-9-8-19(15-24(22)33(23)32)20-16-29-27(30-17-20)31-11-13-35-14-12-31/h2-3,5,7-9,15-18,23H,4,6,10-14H2,1H3
InChIKeyYYWZTWJLTAJCLZ-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.17
Rot. Bonds5

About 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one

6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one (PubChem CID 135270994) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one.

Molecular Properties

Compound Name6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one
PubChem CID135270994
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one
SMILESCC(F)Oc1ccccc1C1CCCn2c(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3n21
InChIInChI=1S/C27H28FN5O3/c1-18(28)36-25-7-3-2-5-21(25)23-6-4-10-32-26(34)22-9-8-19(15-24(22)33(23)32)20-16-29-27(30-17-20)31-11-13-35-14-12-31/h2-3,5,7-9,15-18,23H,4,6,10-14H2,1H3
InChIKeyYYWZTWJLTAJCLZ-UHFFFAOYSA-N
XLogP4.17
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one?
The IUPAC name of 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one (CID 135270994) is 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one.
What is the SMILES notation for 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one?
The canonical SMILES for 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one is CC(F)Oc1ccccc1C1CCCn2c(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3n21.
What is the InChIKey of 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one?
The InChIKey is YYWZTWJLTAJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-18(28)36-25-7-3-2-5-21(25)23-6-4-10-32-26(34)22-9-8-19(15-24(22)33(23)32)20-16-29-27(30-17-20)31-11-13-35-14-12-31/h2-3,5,7-9,15-18,23H,4,6,10-14H2,1H3.
What are the key properties of 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one?
6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one has a molecular weight of 489.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-fluoroethoxy)phenyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one is sourced from PubChem (CID 135270994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).