2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide

C22H17Cl2N5O3 — CID 5037974

IUPAC2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1[nH]nc2c1C(c1ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H17Cl2N5O3/c1-11-18-19(14(9-25)21(26)32-22(18)29-28-11)12-5-7-13(8-6-12)31-10-17(30)27-16-4-2-3-15(23)20(16)24/h2-8,19H,10,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyRPKYTLXHZNBGFB-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.26
Rot. Bonds5

About 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide

2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 5037974) has the molecular formula C22H17Cl2N5O3 and a molecular weight of 470.32 g/mol. Its IUPAC name is 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
PubChem CID5037974
Molecular FormulaC22H17Cl2N5O3
Molecular Weight470.32 g/mol
Exact Mass469.07
IUPAC Name2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1[nH]nc2c1C(c1ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H17Cl2N5O3/c1-11-18-19(14(9-25)21(26)32-22(18)29-28-11)12-5-7-13(8-6-12)31-10-17(30)27-16-4-2-3-15(23)20(16)24/h2-8,19H,10,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyRPKYTLXHZNBGFB-UHFFFAOYSA-N
XLogP4.26
TPSA126.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 4298450
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-bromophenyl)acetamide
CID 5032163
6-amino-4-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4036506
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 4287199
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 5136180
[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3,4-dichlorobenzoate
CID 4033915
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
(4R)-6-amino-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1314457
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide
CID 4542743
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide
CID 5124610
ethyl 6-amino-5-cyano-4-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 3637156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide (CID 5037974) is 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide is Cc1[nH]nc2c1C(c1ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is RPKYTLXHZNBGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O3/c1-11-18-19(14(9-25)21(26)32-22(18)29-28-11)12-5-7-13(8-6-12)31-10-17(30)27-16-4-2-3-15(23)20(16)24/h2-8,19H,10,26H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide?
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 470.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 5037974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).