cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

C23H22FN3O3 — CID 57388447

IUPACcis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(C)c(=O)cc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3/c1-15-20(12-21(28)27(2)26-15)30-14-23(16-6-4-3-5-7-16)13-19(23)22(29)25-18-10-8-17(24)9-11-18/h3-12,19H,13-14H2,1-2H3,(H,25,29)/t19-,23+/m0/s1
InChIKeyBLEBIHBGCPIXJS-WMZHIEFXSA-N
MW407.45 g/mol
LogP3.20
Rot. Bonds6

About cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 57388447) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID57388447
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Namecis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(C)c(=O)cc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3/c1-15-20(12-21(28)27(2)26-15)30-14-23(16-6-4-3-5-7-16)13-19(23)22(29)25-18-10-8-17(24)9-11-18/h3-12,19H,13-14H2,1-2H3,(H,25,29)/t19-,23+/m0/s1
InChIKeyBLEBIHBGCPIXJS-WMZHIEFXSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-[(2-ethyl-4-methylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67474062
cis-(1R,2S)-N-(4,6-difluoro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 67282857
2-(3-chlorophenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 67474012
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-4-methyl-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67283149
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 67473935
cis-(1R,2S)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 57388409
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
cis-(1S,2R)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 124652776
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67473925
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-[[4-(hydroxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 56943658
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 150811899

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (CID 57388447) is cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is Cc1nn(C)c(=O)cc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BLEBIHBGCPIXJS-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-15-20(12-21(28)27(2)26-15)30-14-23(16-6-4-3-5-7-16)13-19(23)22(29)25-18-10-8-17(24)9-11-18/h3-12,19H,13-14H2,1-2H3,(H,25,29)/t19-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1,3-dimethyl-6-oxopyridazin-4-yl)oxymethyl]-N-(4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57388447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).