(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

C29H23N5O2 — CID 2024411

IUPAC(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H23N5O2/c1-18-12-14-20(15-13-18)17-33-24-11-7-6-10-22(24)29(28(33)35)23(16-30)26(31)36-27-25(29)19(2)32-34(27)21-8-4-3-5-9-21/h3-15H,17,31H2,1-2H3/t29-/m0/s1
InChIKeySPPKDUAZRVAEAG-LJAQVGFWSA-N
MW473.54 g/mol
LogP4.41
Rot. Bonds3

About (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (PubChem CID 2024411) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
PubChem CID2024411
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC Name(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H23N5O2/c1-18-12-14-20(15-13-18)17-33-24-11-7-6-10-22(24)29(28(33)35)23(16-30)26(31)36-27-25(29)19(2)32-34(27)21-8-4-3-5-9-21/h3-15H,17,31H2,1-2H3/t29-/m0/s1
InChIKeySPPKDUAZRVAEAG-LJAQVGFWSA-N
XLogP4.41
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-6'-amino-1-ethyl-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 7177430
(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
(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-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293740
6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 21232999
(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile
CID 9497606
(3S)-6'-amino-1-[(2-chlorophenyl)methyl]-2-oxo-1'-phenyl-3'-propylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2004459
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
6-amino-1'-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3480129
2-[(3R)-6'-amino-5'-cyano-2-oxo-1',3'-diphenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-1-yl]acetamide
CID 40906968
6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2961171

Frequently Asked Questions

What is the IUPAC name of (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The IUPAC name of (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) is (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
What is the SMILES notation for (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The canonical SMILES for (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is Cc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The InChIKey is SPPKDUAZRVAEAG-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H23N5O2/c1-18-12-14-20(15-13-18)17-33-24-11-7-6-10-22(24)29(28(33)35)23(16-30)26(31)36-27-25(29)19(2)32-34(27)21-8-4-3-5-9-21/h3-15H,17,31H2,1-2H3/t29-/m0/s1.
What are the key properties of (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile has a molecular weight of 473.54 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 2024411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).