6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C26H26N4O4 — CID 11838576

IUPAC6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C26H26N4O4/c1-31-17-10-7-15(8-11-17)24-23-22(19(14-27)25(28)34-26(23)30-29-24)16-9-12-20(21(13-16)32-2)33-18-5-3-4-6-18/h7-13,18,22H,3-6,28H2,1-2H3,(H,29,30)
InChIKeyDNLXCPRPVOAMGU-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.63
Rot. Bonds6

About 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 11838576) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID11838576
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C26H26N4O4/c1-31-17-10-7-15(8-11-17)24-23-22(19(14-27)25(28)34-26(23)30-29-24)16-9-12-20(21(13-16)32-2)33-18-5-3-4-6-18/h7-13,18,22H,3-6,28H2,1-2H3,(H,29,30)
InChIKeyDNLXCPRPVOAMGU-UHFFFAOYSA-N
XLogP4.63
TPSA115.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-6-amino-3-tert-butyl-4-(4-cyclopentyloxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497255
6-amino-3-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3408551
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838692
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 98924555
(4R)-6-amino-4-(4-bromophenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 993591
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
6-amino-4-(3,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3330043
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
(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
6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3441144
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044795

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 11838576) is 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2C(c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is DNLXCPRPVOAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-31-17-10-7-15(8-11-17)24-23-22(19(14-27)25(28)34-26(23)30-29-24)16-9-12-20(21(13-16)32-2)33-18-5-3-4-6-18/h7-13,18,22H,3-6,28H2,1-2H3,(H,29,30).
What are the key properties of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 458.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 11838576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).