1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C21H28N6O2 — CID 16675929

IUPAC1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1nc(C)cc1C)CC2
InChIInChI=1S/C21H28N6O2/c1-4-26-19-17(6-5-10-22-19)20(29)23-21(26)8-12-25(13-9-21)18(28)7-11-27-16(3)14-15(2)24-27/h5-6,10,14H,4,7-9,11-13H2,1-3H3,(H,23,29)
InChIKeyBZMODKBWYYDSPJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.87
Rot. Bonds4

About 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 16675929) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID16675929
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCCN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1nc(C)cc1C)CC2
InChIInChI=1S/C21H28N6O2/c1-4-26-19-17(6-5-10-22-19)20(29)23-21(26)8-12-25(13-9-21)18(28)7-11-27-16(3)14-15(2)24-27/h5-6,10,14H,4,7-9,11-13H2,1-3H3,(H,23,29)
InChIKeyBZMODKBWYYDSPJ-UHFFFAOYSA-N
XLogP1.87
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 16675929) is 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CCN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1nc(C)cc1C)CC2.
What is the InChIKey of 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is BZMODKBWYYDSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-4-26-19-17(6-5-10-22-19)20(29)23-21(26)8-12-25(13-9-21)18(28)7-11-27-16(3)14-15(2)24-27/h5-6,10,14H,4,7-9,11-13H2,1-3H3,(H,23,29).
What are the key properties of 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 396.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16675929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).