N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

C22H19F3N4O3 — CID 135304046

IUPACN-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-8-6-13(7-9-14)18-11-16(20(31)27-17-4-1-5-19(17)30)21(32)29(28-18)15-3-2-10-26-12-15/h2-3,6-12,17,19,30H,1,4-5H2,(H,27,31)/t17-,19+/m0/s1
InChIKeyIKMPMBBDOVNRKF-PKOBYXMFSA-N
MW444.41 g/mol
LogP2.96
Rot. Bonds4

About N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (PubChem CID 135304046) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
PubChem CID135304046
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC NameN-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)14-8-6-13(7-9-14)18-11-16(20(31)27-17-4-1-5-19(17)30)21(32)29(28-18)15-3-2-10-26-12-15/h2-3,6-12,17,19,30H,1,4-5H2,(H,27,31)/t17-,19+/m0/s1
InChIKeyIKMPMBBDOVNRKF-PKOBYXMFSA-N
XLogP2.96
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303968
3-oxo-2-pyridin-3-yl-N-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 175413296
2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 155351322
3-oxo-2-pyridin-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 142411020
3-oxo-2-pyridin-3-yl-N-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303973
3-oxo-2-pyridin-3-yl-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 175413350
6-(4-chlorophenyl)-N-[(1S)-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147983067
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 151372170
6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 155337561
6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303776
N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142410996
3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 142411072

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (CID 135304046) is N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is O=C(N[C@H]1CCC[C@H]1O)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is IKMPMBBDOVNRKF-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)14-8-6-13(7-9-14)18-11-16(20(31)27-17-4-1-5-19(17)30)21(32)29(28-18)15-3-2-10-26-12-15/h2-3,6-12,17,19,30H,1,4-5H2,(H,27,31)/t17-,19+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 135304046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).