N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

C20H23N7O — CID 53196550

IUPACN-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)NC1CC1
InChIInChI=1S/C20H23N7O/c28-18(24-15-6-7-15)13-27-20-17(12-23-27)19(21-14-22-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,24,28)
InChIKeyXVXFZQPSKDHKBE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.43
Rot. Bonds5

About N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196550) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196550
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)NC1CC1
InChIInChI=1S/C20H23N7O/c28-18(24-15-6-7-15)13-27-20-17(12-23-27)19(21-14-22-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,24,28)
InChIKeyXVXFZQPSKDHKBE-UHFFFAOYSA-N
XLogP1.43
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196299
N-[(4-butoxyphenyl)methyl]-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196577
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196233
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
N-(2-ethoxyphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196400
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53196646
N-(2-methoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196730
N-butan-2-yl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196292

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196550) is N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is O=C(Cn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is XVXFZQPSKDHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-18(24-15-6-7-15)13-27-20-17(12-23-27)19(21-14-22-20)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,24,28).
What are the key properties of N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).