1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one

C25H28N4O4 — CID 46884925

IUPAC1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OCC(C)C)O3)cc2cn[nH]c12
InChIInChI=1S/C25H28N4O4/c1-15(2)14-32-23-21-19(30)12-25(33-20(21)4-7-26-23)5-8-29(9-6-25)24(31)17-10-16(3)22-18(11-17)13-27-28-22/h4,7,10-11,13,15H,5-6,8-9,12,14H2,1-3H3,(H,27,28)
InChIKeyCOTWEYOZKNFASL-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.94
Rot. Bonds4

About 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one

1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884925) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46884925
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OCC(C)C)O3)cc2cn[nH]c12
InChIInChI=1S/C25H28N4O4/c1-15(2)14-32-23-21-19(30)12-25(33-20(21)4-7-26-23)5-8-29(9-6-25)24(31)17-10-16(3)22-18(11-17)13-27-28-22/h4,7,10-11,13,15H,5-6,8-9,12,14H2,1-3H3,(H,27,28)
InChIKeyCOTWEYOZKNFASL-UHFFFAOYSA-N
XLogP3.94
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.94
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)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46884925) is 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OCC(C)C)O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is COTWEYOZKNFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(2)14-32-23-21-19(30)12-25(33-20(21)4-7-26-23)5-8-29(9-6-25)24(31)17-10-16(3)22-18(11-17)13-27-28-22/h4,7,10-11,13,15H,5-6,8-9,12,14H2,1-3H3,(H,27,28).
What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one has a molecular weight of 448.52 g/mol, XLogP of 3.94, 4 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)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).