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

C22H26N4O3 — CID 11838692

IUPAC6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H26N4O3/c1-3-6-16-20-19(15(12-23)21(24)29-22(20)26-25-16)13-9-10-17(18(11-13)27-2)28-14-7-4-5-8-14/h9-11,14,19H,3-8,24H2,1-2H3,(H,25,26)
InChIKeyASAQDJYOLUHDMG-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.91
Rot. Bonds6

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

6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 11838692) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID11838692
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H26N4O3/c1-3-6-16-20-19(15(12-23)21(24)29-22(20)26-25-16)13-9-10-17(18(11-13)27-2)28-14-7-4-5-8-14/h9-11,14,19H,3-8,24H2,1-2H3,(H,25,26)
InChIKeyASAQDJYOLUHDMG-UHFFFAOYSA-N
XLogP3.91
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838576
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 673015
(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7307412
6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838636
(4R)-6-amino-3-propyl-4-(2,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1003403
(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7307398
(4S)-6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40572658
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
ethyl 2-[(4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 1086184
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 11838692) is 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ASAQDJYOLUHDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-6-16-20-19(15(12-23)21(24)29-22(20)26-25-16)13-9-10-17(18(11-13)27-2)28-14-7-4-5-8-14/h9-11,14,19H,3-8,24H2,1-2H3,(H,25,26).
What are the key properties of 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 11838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).