1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C22H25N7O2 — CID 154568745

IUPAC1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(N)n(CC(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1
InChIInChI=1S/C22H25N7O2/c1-14-10-17(23)29(27-14)12-18(30)28-9-3-6-22(13-28)7-5-16-19(22)25-20(26-21(16)31)15-4-2-8-24-11-15/h2,4,8,10-11H,3,5-7,9,12-13,23H2,1H3,(H,25,26,31)
InChIKeyVDYGLDCJDFAWAO-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.43
Rot. Bonds3

About 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154568745) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154568745
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(N)n(CC(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1
InChIInChI=1S/C22H25N7O2/c1-14-10-17(23)29(27-14)12-18(30)28-9-3-6-22(13-28)7-5-16-19(22)25-20(26-21(16)31)15-4-2-8-24-11-15/h2,4,8,10-11H,3,5-7,9,12-13,23H2,1H3,(H,25,26,31)
InChIKeyVDYGLDCJDFAWAO-UHFFFAOYSA-N
XLogP1.43
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

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Related Compounds

1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564869
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-(6-aminopyridine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565415
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565296
1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492991
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564584
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288
3-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 155507593
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816421

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154568745) is 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1cc(N)n(CC(=O)N2CCCC3(CCc4c3nc(-c3cccnc3)[nH]c4=O)C2)n1.
What is the InChIKey of 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is VDYGLDCJDFAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-10-17(23)29(27-14)12-18(30)28-9-3-6-22(13-28)7-5-16-19(22)25-20(26-21(16)31)15-4-2-8-24-11-15/h2,4,8,10-11H,3,5-7,9,12-13,23H2,1H3,(H,25,26,31).
What are the key properties of 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 419.49 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154568745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).