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

C24H22BrN5O4 — CID 5124610

IUPAC2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C24H22BrN5O4/c1-12-8-15(25)5-6-17(12)28-20(31)11-33-18-7-4-14(9-19(18)32-3)22-16(10-26)23(27)34-24-21(22)13(2)29-30-24/h4-9,22H,11,27H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyKACUEGMVYOGFCV-UHFFFAOYSA-N
MW524.38 g/mol
LogP4.03
Rot. Bonds6

About 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

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 (PubChem CID 5124610) has the molecular formula C24H22BrN5O4 and a molecular weight of 524.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID5124610
Molecular FormulaC24H22BrN5O4
Molecular Weight524.38 g/mol
Exact Mass523.09
IUPAC Name2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C24H22BrN5O4/c1-12-8-15(25)5-6-17(12)28-20(31)11-33-18-7-4-14(9-19(18)32-3)22-16(10-26)23(27)34-24-21(22)13(2)29-30-24/h4-9,22H,11,27H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyKACUEGMVYOGFCV-UHFFFAOYSA-N
XLogP4.03
TPSA135.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.38
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1096163
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(4-bromophenyl)acetamide
CID 3505120
(4S)-6-amino-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 951901
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)phenoxy]-N-(4-bromophenyl)acetamide
CID 5032163
6-amino-4-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5026508
2-[4-[(4R)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
CID 1089882
6-amino-4-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 43819102
ethyl 2-[(4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 1086184
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
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide
CID 3991777
6-amino-3-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3408551

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)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 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?
The InChIKey is KACUEGMVYOGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O4/c1-12-8-15(25)5-6-17(12)28-20(31)11-33-18-7-4-14(9-19(18)32-3)22-16(10-26)23(27)34-24-21(22)13(2)29-30-24/h4-9,22H,11,27H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 524.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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)-2-methoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 5124610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).