N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide

C22H22F2N6O3 — CID 167955352

IUPACN-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1
InChIInChI=1S/C22H22F2N6O3/c23-17-3-1-2-16(21(17)24)18-12-19(29-28-18)27-22(32)26-15-6-4-14(5-7-15)25-20(31)13-30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,25,31)(H3,26,27,28,29,32)
InChIKeyJNHSUYFRNNEBIK-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide

N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 167955352) has the molecular formula C22H22F2N6O3 and a molecular weight of 456.45 g/mol. Its IUPAC name is N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide
PubChem CID167955352
Molecular FormulaC22H22F2N6O3
Molecular Weight456.45 g/mol
Exact Mass456.17
IUPAC NameN-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1
InChIInChI=1S/C22H22F2N6O3/c23-17-3-1-2-16(21(17)24)18-12-19(29-28-18)27-22(32)26-15-6-4-14(5-7-15)25-20(31)13-30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,25,31)(H3,26,27,28,29,32)
InChIKeyJNHSUYFRNNEBIK-UHFFFAOYSA-N
XLogP3.27
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-ethylsulfonylacetamide
CID 75381080
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
1-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 154873617
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
CID 30779690
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide (CID 167955352) is N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1.
What is the InChIKey of N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is JNHSUYFRNNEBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O3/c23-17-3-1-2-16(21(17)24)18-12-19(29-28-18)27-22(32)26-15-6-4-14(5-7-15)25-20(31)13-30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,25,31)(H3,26,27,28,29,32).
What are the key properties of N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide?
N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 456.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]carbamoylamino]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 167955352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).