1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C23H29N7O2 — CID 163306794

About 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 163306794) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
• PubChem CID: 163306794
• Molecular Formula: C23H29N7O2
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.24
• IUPAC Name: 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
• SMILES: Cc1nc2ccnn2c(N2CCCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)C2)c1C
• InChI: InChI=1S/C23H29N7O2/c1-15-16(2)25-18-5-8-24-30(18)21(15)29-9-3-6-23(14-29)7-4-17-19(23)26-22(27-20(17)31)28-10-12-32-13-11-28/h5,8H,3-4,6-7,9-14H2,1-2H3,(H,26,27,31)
• InChIKey: UYUQDDFYQARECP-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 91.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The IUPAC name of 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 163306794) is 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

What is the SMILES notation for 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The canonical SMILES for 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1nc2ccnn2c(N2CCCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)C2)c1C.

What is the InChIKey of 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The InChIKey is UYUQDDFYQARECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-16(2)25-18-5-8-24-30(18)21(15)29-9-3-6-23(14-29)7-4-17-19(23)26-22(27-20(17)31)28-10-12-32-13-11-28/h5,8H,3-4,6-7,9-14H2,1-2H3,(H,26,27,31).

What are the key properties of 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 435.53 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 163306794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).