N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine

C22H23N7 — CID 25138051

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCN1CCN(c2ccc(Nc3ncc4[nH]nc(-c5ccccc5)c4n3)cc2)CC1
InChIInChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)18-9-7-17(8-10-18)24-22-23-15-19-21(25-22)20(27-26-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyHPOZHFRJHZDSHY-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.52
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 25138051) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID25138051
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCN1CCN(c2ccc(Nc3ncc4[nH]nc(-c5ccccc5)c4n3)cc2)CC1
InChIInChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)18-9-7-17(8-10-18)24-22-23-15-19-21(25-22)20(27-26-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyHPOZHFRJHZDSHY-UHFFFAOYSA-N
XLogP3.52
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine (CID 25138051) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine is CN1CCN(c2ccc(Nc3ncc4[nH]nc(-c5ccccc5)c4n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is HPOZHFRJHZDSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)18-9-7-17(8-10-18)24-22-23-15-19-21(25-22)20(27-26-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 385.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 25138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).