(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C25H20N4O — CID 40552727

IUPAC(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccc5ccccc45)c32)cc1
InChIInChI=1S/C25H20N4O/c1-2-15-10-12-17(13-11-15)21-20(14-26)24(27)30-25-22(21)23(28-29-25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,21H,2,27H2,1H3,(H,28,29)/t21-/m1/s1
InChIKeySIFHACKSQWTCFQ-OAQYLSRUSA-N
MW392.46 g/mol
LogP5.01
Rot. Bonds3

About (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 40552727) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID40552727
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccc5ccccc45)c32)cc1
InChIInChI=1S/C25H20N4O/c1-2-15-10-12-17(13-11-15)21-20(14-26)24(27)30-25-22(21)23(28-29-25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,21H,2,27H2,1H3,(H,28,29)/t21-/m1/s1
InChIKeySIFHACKSQWTCFQ-OAQYLSRUSA-N
XLogP5.01
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-amino-4-(3-bromo-4-fluorophenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1340143
(4S)-6-amino-4-(4-ethylphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212687
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212680
6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 43819115
6-amino-3-(2-chlorophenyl)-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4088030
(4S)-6-amino-3-ethyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497179
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
6-amino-4-[4-(dimethylamino)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3987344
6-amino-3-ethyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156166
6-amino-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
(4R)-6-amino-3-chloro-4-(4-propylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40549029

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 40552727) is (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccc5ccccc45)c32)cc1.
What is the InChIKey of (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is SIFHACKSQWTCFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H20N4O/c1-2-15-10-12-17(13-11-15)21-20(14-26)24(27)30-25-22(21)23(28-29-25)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,21H,2,27H2,1H3,(H,28,29)/t21-/m1/s1.
What are the key properties of (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 40552727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).