6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

C25H20N6O — CID 135621349

IUPAC6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESC#CCN1C(=O)C2(C(C#N)=C(N)Nc3c2c(C)nn3-c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C25H20N6O/c1-4-13-30-20-8-6-5-7-18(20)25(24(30)32)19(14-26)22(27)28-23-21(25)16(3)29-31(23)17-11-9-15(2)10-12-17/h1,5-12,28H,13,27H2,2-3H3
InChIKeyGGTZNUCKRKJGSD-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.87
Rot. Bonds2

About 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (PubChem CID 135621349) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
PubChem CID135621349
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESC#CCN1C(=O)C2(C(C#N)=C(N)Nc3c2c(C)nn3-c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C25H20N6O/c1-4-13-30-20-8-6-5-7-18(20)25(24(30)32)19(14-26)22(27)28-23-21(25)16(3)29-31(23)17-11-9-15(2)10-12-17/h1,5-12,28H,13,27H2,2-3H3
InChIKeyGGTZNUCKRKJGSD-UHFFFAOYSA-N
XLogP2.87
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6'-amino-3',5-dimethyl-1'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621350
(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2024411
6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621337
(3R)-6'-amino-1-ethyl-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 7177430
6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 21232999
(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293740
(3R)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293742
(3S)-6'-amino-1-[(2,4-dichlorophenyl)methyl]-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2000184
1'-benzyl-6-(4-chlorophenyl)-2'-oxo-1,3-diphenylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
CID 175663566
(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 7428290
3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 4077311
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (CID 135621349) is 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is C#CCN1C(=O)C2(C(C#N)=C(N)Nc3c2c(C)nn3-c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The InChIKey is GGTZNUCKRKJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-4-13-30-20-8-6-5-7-18(20)25(24(30)32)19(14-26)22(27)28-23-21(25)16(3)29-31(23)17-11-9-15(2)10-12-17/h1,5-12,28H,13,27H2,2-3H3.
What are the key properties of 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile has a molecular weight of 420.48 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 135621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).