6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C24H25N5O2 — CID 53447587

IUPAC6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCC1NNC2OC(N)=C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc43)C12
InChIInChI=1S/C24H25N5O2/c1-2-8-18-20-22(28-27-18)31-21(26)17(13-25)24(20)16-11-6-7-12-19(16)29(23(24)30)14-15-9-4-3-5-10-15/h3-7,9-12,18,20,22,27-28H,2,8,14,26H2,1H3
InChIKeyAUCMTHIAPJIQKI-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.41
Rot. Bonds4

About 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 53447587) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID53447587
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCCC1NNC2OC(N)=C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc43)C12
InChIInChI=1S/C24H25N5O2/c1-2-8-18-20-22(28-27-18)31-21(26)17(13-25)24(20)16-11-6-7-12-19(16)29(23(24)30)14-15-9-4-3-5-10-15/h3-7,9-12,18,20,22,27-28H,2,8,14,26H2,1H3
InChIKeyAUCMTHIAPJIQKI-UHFFFAOYSA-N
XLogP2.41
TPSA103.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1'-ethyl-3-(4-fluorophenyl)-2'-oxospiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 78213695
2-[6-amino-3-(4-chlorophenyl)-5-cyano-2'-oxospiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetic acid
CID 74580259
6'-amino-3'-butyl-5-fluoro-2-oxospiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 53449148
6-amino-1'-benzyl-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3154828
6-amino-1'-benzyl-3-ethyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 2961924
6'-amino-2-oxo-3'-pyridin-4-ylspiro[1H-indole-3,4'-2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 78213704
6-amino-3-(4-methoxyphenyl)spiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 78353613
(4R)-2-amino-1'-benzyl-2'-oxo-8-[(E)-3-phenylprop-2-enyl]spiro[chromene-4,3'-indole]-3-carbonitrile
CID 139046861
(5S)-7-amino-1'-benzyl-2-methylsulfanyl-2',4-dioxospiro[3,8-dihydropyrido[2,3-d]pyrimidine-5,3'-indole]-6-carbonitrile
CID 135897120
2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886476
6-amino-1'-[(4-methylphenyl)methyl]-2'-oxo-3-propylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3926707
methyl 1'-benzyl-3-cyano-2'-oxospiro[cyclopent-3-ene-2,3'-indole]-1-carboxylate
CID 46198045

Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 53447587) is 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCCC1NNC2OC(N)=C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc43)C12.
What is the InChIKey of 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is AUCMTHIAPJIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-8-18-20-22(28-27-18)31-21(26)17(13-25)24(20)16-11-6-7-12-19(16)29(23(24)30)14-15-9-4-3-5-10-15/h3-7,9-12,18,20,22,27-28H,2,8,14,26H2,1H3.
What are the key properties of 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-benzyl-2'-oxo-3-propylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 53447587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).