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

C22H26N4O2 — CID 7307412

IUPAC(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCCc1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H26N4O2/c1-2-3-11-18-20-19(17(13-23)21(24)28-22(20)26-25-18)14-7-6-10-16(12-14)27-15-8-4-5-9-15/h6-7,10,12,15,19H,2-5,8-9,11,24H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyKQDLPPCYXOAUQW-IBGZPJMESA-N
MW378.48 g/mol
LogP4.29
Rot. Bonds6

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

(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 7307412) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID7307412
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCCc1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H26N4O2/c1-2-3-11-18-20-19(17(13-23)21(24)28-22(20)26-25-18)14-7-6-10-16(12-14)27-15-8-4-5-9-15/h6-7,10,12,15,19H,2-5,8-9,11,24H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyKQDLPPCYXOAUQW-IBGZPJMESA-N
XLogP4.29
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838636
(4S)-6-amino-4-(4-cyclopentyloxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7307398
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838692
6-amino-3-propyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946763
6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 139234738
(4S)-6-amino-3,4-bis(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1401783
(4S)-6-amino-4-(3-chlorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 939463
(4R)-6-amino-3-propyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40823212
6-amino-3-propyl-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945590
[4-[(4R)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] 3-methoxybenzoate
CID 2202323
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 7307412) is (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCCc1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is KQDLPPCYXOAUQW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-3-11-18-20-19(17(13-23)21(24)28-22(20)26-25-18)14-7-6-10-16(12-14)27-15-8-4-5-9-15/h6-7,10,12,15,19H,2-5,8-9,11,24H2,1H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-3-butyl-4-(3-cyclopentyloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 7307412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).