methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate

C20H21N5O5 — CID 665210

IUPACmethyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
SMILESCCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H21N5O5/c1-3-6-11-14-17(24-23-11)30-16(22)15(18(27)29-2)20(14)10-7-4-5-8-12(10)25(19(20)28)9-13(21)26/h4-5,7-8H,3,6,9,22H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyAQSUNOZBYRWGBO-UHFFFAOYSA-N
MW411.42 g/mol
LogP0.22
Rot. Bonds5

About methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate

methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate (PubChem CID 665210) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
PubChem CID665210
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Namemethyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
SMILESCCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H21N5O5/c1-3-6-11-14-17(24-23-11)30-16(22)15(18(27)29-2)20(14)10-7-4-5-8-12(10)25(19(20)28)9-13(21)26/h4-5,7-8H,3,6,9,22H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyAQSUNOZBYRWGBO-UHFFFAOYSA-N
XLogP0.22
TPSA153.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate?
The IUPAC name of methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate (CID 665210) is methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate.
What is the SMILES notation for methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate?
The canonical SMILES for methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate is CCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate?
The InChIKey is AQSUNOZBYRWGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-3-6-11-14-17(24-23-11)30-16(22)15(18(27)29-2)20(14)10-7-4-5-8-12(10)25(19(20)28)9-13(21)26/h4-5,7-8H,3,6,9,22H2,1-2H3,(H2,21,26)(H,23,24).
What are the key properties of methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate?
methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate has a molecular weight of 411.42 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-1'-(2-amino-2-oxoethyl)-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate is sourced from PubChem (CID 665210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).