7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

C21H26F3N5O4 — CID 171492817

IUPAC7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=C(C1CC1)N1CCN(C(=O)C2CN(C3CCc4c3n[nH]c(=O)c4C(F)(F)F)CCO2)CC1
InChIInChI=1S/C21H26F3N5O4/c22-21(23,24)16-13-3-4-14(17(13)25-26-18(16)30)29-9-10-33-15(11-29)20(32)28-7-5-27(6-8-28)19(31)12-1-2-12/h12,14-15H,1-11H2,(H,26,30)
InChIKeySFKQECYUSWZEPJ-UHFFFAOYSA-N
MW469.46 g/mol
LogP0.56
Rot. Bonds3

About 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (PubChem CID 171492817) has the molecular formula C21H26F3N5O4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
PubChem CID171492817
Molecular FormulaC21H26F3N5O4
Molecular Weight469.46 g/mol
Exact Mass469.19
IUPAC Name7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=C(C1CC1)N1CCN(C(=O)C2CN(C3CCc4c3n[nH]c(=O)c4C(F)(F)F)CCO2)CC1
InChIInChI=1S/C21H26F3N5O4/c22-21(23,24)16-13-3-4-14(17(13)25-26-18(16)30)29-9-10-33-15(11-29)20(32)28-7-5-27(6-8-28)19(31)12-1-2-12/h12,14-15H,1-11H2,(H,26,30)
InChIKeySFKQECYUSWZEPJ-UHFFFAOYSA-N
XLogP0.56
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The IUPAC name of 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (CID 171492817) is 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The canonical SMILES for 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is O=C(C1CC1)N1CCN(C(=O)C2CN(C3CCc4c3n[nH]c(=O)c4C(F)(F)F)CCO2)CC1.
What is the InChIKey of 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The InChIKey is SFKQECYUSWZEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O4/c22-21(23,24)16-13-3-4-14(17(13)25-26-18(16)30)29-9-10-33-15(11-29)20(32)28-7-5-27(6-8-28)19(31)12-1-2-12/h12,14-15H,1-11H2,(H,26,30).
What are the key properties of 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one has a molecular weight of 469.46 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]morpholin-4-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171492817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).