6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C24H26F3N7O3 — CID 171492714

IUPAC6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@]1(N2CCO[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C24H26F3N7O3/c1-23(5-4-16-19(24(25,26)27)21(35)31-30-20(16)23)34-10-11-37-17(14-34)22(36)33-8-6-32(7-9-33)18-3-2-15(12-28)13-29-18/h2-3,13,17H,4-11,14H2,1H3,(H,31,35)/t17-,23+/m1/s1
InChIKeyRBWFZSVXEPRYCH-HXOBKFHXSA-N
MW517.51 g/mol
LogP1.27
Rot. Bonds3

About 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 171492714) has the molecular formula C24H26F3N7O3 and a molecular weight of 517.51 g/mol. Its IUPAC name is 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID171492714
Molecular FormulaC24H26F3N7O3
Molecular Weight517.51 g/mol
Exact Mass517.20
IUPAC Name6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@]1(N2CCO[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C24H26F3N7O3/c1-23(5-4-16-19(24(25,26)27)21(35)31-30-20(16)23)34-10-11-37-17(14-34)22(36)33-8-6-32(7-9-33)18-3-2-15(12-28)13-29-18/h2-3,13,17H,4-11,14H2,1H3,(H,31,35)/t17-,23+/m1/s1
InChIKeyRBWFZSVXEPRYCH-HXOBKFHXSA-N
XLogP1.27
TPSA118.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 171492714) is 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is C[C@]1(N2CCO[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RBWFZSVXEPRYCH-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H26F3N7O3/c1-23(5-4-16-19(24(25,26)27)21(35)31-30-20(16)23)34-10-11-37-17(14-34)22(36)33-8-6-32(7-9-33)18-3-2-15(12-28)13-29-18/h2-3,13,17H,4-11,14H2,1H3,(H,31,35)/t17-,23+/m1/s1.
What are the key properties of 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 517.51 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-4-[(7S)-7-methyl-3-oxo-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-7-yl]morpholine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).