(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C20H22N4O2 — CID 7307398

IUPAC(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H22N4O2/c1-2-16-18-17(15(11-21)19(22)26-20(18)24-23-16)12-7-9-14(10-8-12)25-13-5-3-4-6-13/h7-10,13,17H,2-6,22H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyFDMVLNZTQIIFJS-KRWDZBQOSA-N
MW350.42 g/mol
LogP3.51
Rot. Bonds4

About (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 7307398) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID7307398
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C20H22N4O2/c1-2-16-18-17(15(11-21)19(22)26-20(18)24-23-16)12-7-9-14(10-8-12)25-13-5-3-4-6-13/h7-10,13,17H,2-6,22H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyFDMVLNZTQIIFJS-KRWDZBQOSA-N
XLogP3.51
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Related Compounds

6-amino-3-ethyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156166
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
(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
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838692
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4S)-6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743737
(4S)-6-amino-3-ethyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 914470
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838576

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 7307398) is (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is FDMVLNZTQIIFJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-16-18-17(15(11-21)19(22)26-20(18)24-23-16)12-7-9-14(10-8-12)25-13-5-3-4-6-13/h7-10,13,17H,2-6,22H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 7307398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).