1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C22H21N3O3 — CID 73350749

IUPAC1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H21N3O3/c1-14-2-5-20-17(10-14)19(26)12-22(28-20)6-8-25(9-7-22)21(27)15-3-4-18-16(11-15)13-23-24-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,24)
InChIKeyRYYYBUQKVNYARZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.51
Rot. Bonds1

About 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 73350749) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID73350749
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H21N3O3/c1-14-2-5-20-17(10-14)19(26)12-22(28-20)6-8-25(9-7-22)21(27)15-3-4-18-16(11-15)13-23-24-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,24)
InChIKeyRYYYBUQKVNYARZ-UHFFFAOYSA-N
XLogP3.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 73350749) is 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)O2.
What is the InChIKey of 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RYYYBUQKVNYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-2-5-20-17(10-14)19(26)12-22(28-20)6-8-25(9-7-22)21(27)15-3-4-18-16(11-15)13-23-24-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,24).
What are the key properties of 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 375.43 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indazole-5-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 73350749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).