6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C23H19F3N4O3 — CID 177379140

IUPAC6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OCc2ccc(C(F)(F)F)cc2)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1
InChIInChI=1S/C23H19F3N4O3/c1-12-19-20(17(10-27)21(28)33-22(19)30-29-12)16-9-15(31-2)7-8-18(16)32-11-13-3-5-14(6-4-13)23(24,25)26/h3-9,20H,11,28H2,1-2H3,(H,29,30)
InChIKeyKPCDHZTUXFHTKT-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.54
Rot. Bonds5

About 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 177379140) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID177379140
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OCc2ccc(C(F)(F)F)cc2)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1
InChIInChI=1S/C23H19F3N4O3/c1-12-19-20(17(10-27)21(28)33-22(19)30-29-12)16-9-15(31-2)7-8-18(16)32-11-13-3-5-14(6-4-13)23(24,25)26/h3-9,20H,11,28H2,1-2H3,(H,29,30)
InChIKeyKPCDHZTUXFHTKT-UHFFFAOYSA-N
XLogP4.54
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-(2,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2832260
(4S)-6-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1418139
(4R)-6-amino-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1314457
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815
6-amino-4-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3499385
6-amino-4-[2-[(3-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2943673
6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2942320
(4S)-6-amino-4-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7119468
(4R)-6-amino-4-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7119463
(4S)-6-amino-4-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 126141830
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044795
(4S)-6-amino-4-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1084066

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 177379140) is 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(OCc2ccc(C(F)(F)F)cc2)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1.
What is the InChIKey of 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is KPCDHZTUXFHTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-12-19-20(17(10-27)21(28)33-22(19)30-29-12)16-9-15(31-2)7-8-18(16)32-11-13-3-5-14(6-4-13)23(24,25)26/h3-9,20H,11,28H2,1-2H3,(H,29,30).
What are the key properties of 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 456.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 177379140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).