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

C22H22N4O3 — CID 46884884

IUPAC6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1ccc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H22N4O3/c1-13-9-15(10-16-12-23-25-19(13)16)21(28)26-7-5-22(6-8-26)11-17(27)20-18(29-22)4-3-14(2)24-20/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,25)
InChIKeyKDVKHUDCYWQBMN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.21
Rot. Bonds1

About 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one

6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (PubChem CID 46884884) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
PubChem CID46884884
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one
SMILESCc1ccc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
InChIInChI=1S/C22H22N4O3/c1-13-9-15(10-16-12-23-25-19(13)16)21(28)26-7-5-22(6-8-26)11-17(27)20-18(29-22)4-3-14(2)24-20/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,25)
InChIKeyKDVKHUDCYWQBMN-UHFFFAOYSA-N
XLogP3.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one (CID 46884884) is 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is Cc1ccc2c(n1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2.
What is the InChIKey of 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
The InChIKey is KDVKHUDCYWQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-9-15(10-16-12-23-25-19(13)16)21(28)26-7-5-22(6-8-26)11-17(27)20-18(29-22)4-3-14(2)24-20/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,25).
What are the key properties of 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one?
6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one has a molecular weight of 390.44 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).