6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C24H25N3O3 — CID 46884571

IUPAC6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2
InChIInChI=1S/C24H25N3O3/c1-14-10-19-21(28)13-24(30-22(19)11-15(14)2)6-8-27(9-7-24)23(29)17-4-5-18-16(3)25-26-20(18)12-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,26)
InChIKeyLWHDVQPWMFTFDD-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.13
Rot. Bonds1

About 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884571) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884571
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2
InChIInChI=1S/C24H25N3O3/c1-14-10-19-21(28)13-24(30-22(19)11-15(14)2)6-8-27(9-7-24)23(29)17-4-5-18-16(3)25-26-20(18)12-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,26)
InChIKeyLWHDVQPWMFTFDD-UHFFFAOYSA-N
XLogP4.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884571) is 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc4c(C)[nH]nc4c3)CC1)O2.
What is the InChIKey of 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LWHDVQPWMFTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14-10-19-21(28)13-24(30-22(19)11-15(14)2)6-8-27(9-7-24)23(29)17-4-5-18-16(3)25-26-20(18)12-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,26).
What are the key properties of 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 403.48 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1'-(3-methyl-2H-indazole-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).