1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C20H26N6O2 — CID 16675382

IUPAC1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(CC)c1C)CC2
InChIInChI=1S/C20H26N6O2/c1-4-25-17-15(7-6-10-21-17)18(27)23-20(25)8-11-24(12-9-20)19(28)16-13-22-26(5-2)14(16)3/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyFFWUPUANVMAQGD-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.81
Rot. Bonds3

About 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 16675382) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID16675382
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(CC)c1C)CC2
InChIInChI=1S/C20H26N6O2/c1-4-25-17-15(7-6-10-21-17)18(27)23-20(25)8-11-24(12-9-20)19(28)16-13-22-26(5-2)14(16)3/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,23,27)
InChIKeyFFWUPUANVMAQGD-UHFFFAOYSA-N
XLogP1.81
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 16675382) is 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(CC)c1C)CC2.
What is the InChIKey of 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is FFWUPUANVMAQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-25-17-15(7-6-10-21-17)18(27)23-20(25)8-11-24(12-9-20)19(28)16-13-22-26(5-2)14(16)3/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,23,27).
What are the key properties of 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16675382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).