(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C19H19N5O2 — CID 941592

IUPAC(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N5O2/c1-3-7-13-15-17(23-22-13)26-16(21)12(10-20)19(15)11-8-5-6-9-14(11)24(4-2)18(19)25/h5-6,8-9H,3-4,7,21H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyJYAQTLFCVRDSNS-LJQANCHMSA-N
MW349.39 g/mol
LogP2.10
Rot. Bonds3

About (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 941592) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID941592
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N5O2/c1-3-7-13-15-17(23-22-13)26-16(21)12(10-20)19(15)11-8-5-6-9-14(11)24(4-2)18(19)25/h5-6,8-9H,3-4,7,21H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyJYAQTLFCVRDSNS-LJQANCHMSA-N
XLogP2.10
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 941592) is (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is JYAQTLFCVRDSNS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-7-13-15-17(23-22-13)26-16(21)12(10-20)19(15)11-8-5-6-9-14(11)24(4-2)18(19)25/h5-6,8-9H,3-4,7,21H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
(4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-1'-ethyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 941592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).