1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C18H22N6O2 — CID 126468141

IUPAC1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1ccnc1)CC2
InChIInChI=1S/C18H22N6O2/c1-22-16-14(3-2-7-20-16)17(26)21-18(22)5-10-24(11-6-18)15(25)4-9-23-12-8-19-13-23/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,21,26)
InChIKeyAHQADYPEWIYHAP-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.87
Rot. Bonds3

About 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 126468141) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID126468141
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1ccnc1)CC2
InChIInChI=1S/C18H22N6O2/c1-22-16-14(3-2-7-20-16)17(26)21-18(22)5-10-24(11-6-18)15(25)4-9-23-12-8-19-13-23/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,21,26)
InChIKeyAHQADYPEWIYHAP-UHFFFAOYSA-N
XLogP0.87
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 126468141) is 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1ccnc1)CC2.
What is the InChIKey of 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is AHQADYPEWIYHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22-16-14(3-2-7-20-16)17(26)21-18(22)5-10-24(11-6-18)15(25)4-9-23-12-8-19-13-23/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,21,26).
What are the key properties of 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 354.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 126468141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).