1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone

C26H35N9O — CID 53196698

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H35N9O/c36-24(33-12-7-21(8-13-33)31-10-4-1-5-11-31)19-35-26-22(18-30-35)25(28-20-29-26)34-16-14-32(15-17-34)23-6-2-3-9-27-23/h2-3,6,9,18,20-21H,1,4-5,7-8,10-17,19H2
InChIKeyRPOHNUJLZDJVQG-UHFFFAOYSA-N
MW489.63 g/mol
LogP2.02
Rot. Bonds5

About 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone

1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone (PubChem CID 53196698) has the molecular formula C26H35N9O and a molecular weight of 489.63 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone
PubChem CID53196698
Molecular FormulaC26H35N9O
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H35N9O/c36-24(33-12-7-21(8-13-33)31-10-4-1-5-11-31)19-35-26-22(18-30-35)25(28-20-29-26)34-16-14-32(15-17-34)23-6-2-3-9-27-23/h2-3,6,9,18,20-21H,1,4-5,7-8,10-17,19H2
InChIKeyRPOHNUJLZDJVQG-UHFFFAOYSA-N
XLogP2.02
TPSA86.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196730
2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53196646
N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196688
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[6-[[4-[4-(4-piperidin-1-ylcyclohexanecarbonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-2-pyridinyl]propan-1-one
CID 23582158
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196299
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone (CID 53196698) is 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone is O=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone?
The InChIKey is RPOHNUJLZDJVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O/c36-24(33-12-7-21(8-13-33)31-10-4-1-5-11-31)19-35-26-22(18-30-35)25(28-20-29-26)34-16-14-32(15-17-34)23-6-2-3-9-27-23/h2-3,6,9,18,20-21H,1,4-5,7-8,10-17,19H2.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone?
1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone has a molecular weight of 489.63 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethanone is sourced from PubChem (CID 53196698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).