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

C24H19Cl2N5O2 — CID 3918089

IUPAC6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C24H19Cl2N5O2/c1-2-5-18-20-22(30-29-18)33-21(28)15(11-27)24(20)14-6-3-4-7-19(14)31(23(24)32)12-13-8-9-16(25)17(26)10-13/h3-4,6-10H,2,5,12,28H2,1H3,(H,29,30)
InChIKeyIGMVZWNGXVGMQQ-UHFFFAOYSA-N
MW480.36 g/mol
LogP4.59
Rot. Bonds4

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

6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 3918089) has the molecular formula C24H19Cl2N5O2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID3918089
Molecular FormulaC24H19Cl2N5O2
Molecular Weight480.36 g/mol
Exact Mass479.09
IUPAC Name6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C24H19Cl2N5O2/c1-2-5-18-20-22(30-29-18)33-21(28)15(11-27)24(20)14-6-3-4-7-19(14)31(23(24)32)12-13-8-9-16(25)17(26)10-13/h3-4,6-10H,2,5,12,28H2,1H3,(H,29,30)
InChIKeyIGMVZWNGXVGMQQ-UHFFFAOYSA-N
XLogP4.59
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-isopropyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile-4-spiro-3'-(1'-ethyl-1',3'-dihydro-2'H-indol-2'-one)
CID 645269
6-amino-3-(4-chlorophenyl)-1'-ethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3884715
methyl 2-(6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-3'-yl)acetate
CID 663588
6'-amino-1-ethyl-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 663933
6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 663934
6'-amino-1-ethyl-2-oxo-3'-propyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 663939
6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 646066
6'-amino-3'-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 2813312
6'-amino-1,3'-dimethyl-1'-phenyl-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile
CID 2953576
6'-amino-1-ethyl-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 3922748
methyl 2-(6'-amino-1-benzyl-5'-cyano-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-3'-yl)acetate
CID 654660
6-amino-3-(4-chlorophenyl)-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 663732

Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 3918089) is 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCCc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is IGMVZWNGXVGMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O2/c1-2-5-18-20-22(30-29-18)33-21(28)15(11-27)24(20)14-6-3-4-7-19(14)31(23(24)32)12-13-8-9-16(25)17(26)10-13/h3-4,6-10H,2,5,12,28H2,1H3,(H,29,30).
What are the key properties of 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 480.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-[(3,4-dichlorophenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 3918089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).