6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C25H26N4O3 — CID 3330043

IUPAC6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(CC(C)C)cc4)c32)cc1OC
InChIInChI=1S/C25H26N4O3/c1-14(2)11-15-5-7-16(8-6-15)23-22-21(17-9-10-19(30-3)20(12-17)31-4)18(13-26)24(27)32-25(22)29-28-23/h5-10,12,14,21H,11,27H2,1-4H3,(H,28,29)
InChIKeyGBASLFKGRHMFFN-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.51
Rot. Bonds6

About 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3330043) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3330043
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(CC(C)C)cc4)c32)cc1OC
InChIInChI=1S/C25H26N4O3/c1-14(2)11-15-5-7-16(8-6-15)23-22-21(17-9-10-19(30-3)20(12-17)31-4)18(13-26)24(27)32-25(22)29-28-23/h5-10,12,14,21H,11,27H2,1-4H3,(H,28,29)
InChIKeyGBASLFKGRHMFFN-UHFFFAOYSA-N
XLogP4.51
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-3-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3408551
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 98924555
(4S)-6-amino-3-(4-ethoxyphenyl)-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1213943
(4R)-6-amino-3-(4-chlorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006069
(4R)-6-amino-3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497177
(4S)-6-amino-4-(3-butoxy-4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7241402
(4S)-6-amino-4-(3-bromo-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006063
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838576
[4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 4248563
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 673015
6-amino-3-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3309241

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3330043) is 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(CC(C)C)cc4)c32)cc1OC.
What is the InChIKey of 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is GBASLFKGRHMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-14(2)11-15-5-7-16(8-6-15)23-22-21(17-9-10-19(30-3)20(12-17)31-4)18(13-26)24(27)32-25(22)29-28-23/h5-10,12,14,21H,11,27H2,1-4H3,(H,28,29).
What are the key properties of 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 430.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3330043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).