N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

C19H28N6O — CID 53196299

IUPACN-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCCCC3)ncnc21)NC1CCCCCC1
InChIInChI=1S/C19H28N6O/c26-17(23-15-8-4-1-2-5-9-15)13-25-19-16(12-22-25)18(20-14-21-19)24-10-6-3-7-11-24/h12,14-15H,1-11,13H2,(H,23,26)
InChIKeyDYHILLXLWWYJBJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.66
Rot. Bonds4

About N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (PubChem CID 53196299) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
PubChem CID53196299
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCCCC3)ncnc21)NC1CCCCCC1
InChIInChI=1S/C19H28N6O/c26-17(23-15-8-4-1-2-5-9-15)13-25-19-16(12-22-25)18(20-14-21-19)24-10-6-3-7-11-24/h12,14-15H,1-11,13H2,(H,23,26)
InChIKeyDYHILLXLWWYJBJ-UHFFFAOYSA-N
XLogP2.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550
N-butan-2-yl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196292
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196333
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196233
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 53196459
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53196498
N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196614

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (CID 53196299) is N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is O=C(Cn1ncc2c(N3CCCCC3)ncnc21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The InChIKey is DYHILLXLWWYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c26-17(23-15-8-4-1-2-5-9-15)13-25-19-16(12-22-25)18(20-14-21-19)24-10-6-3-7-11-24/h12,14-15H,1-11,13H2,(H,23,26).
What are the key properties of N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 53196299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).