1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C26H24N4O4 — CID 46884800

IUPAC1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1nc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(C)c5[nH]ncc5c4)CC2)O3)co1
InChIInChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29)
InChIKeyJCGKXLHCKHTFOC-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.47
Rot. Bonds2

About 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884800) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884800
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1nc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(C)c5[nH]ncc5c4)CC2)O3)co1
InChIInChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29)
InChIKeyJCGKXLHCKHTFOC-UHFFFAOYSA-N
XLogP4.47
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884800) is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1nc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(C)c5[nH]ncc5c4)CC2)O3)co1.
What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JCGKXLHCKHTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29).
What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 456.50 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).