N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H23N7 — CID 154778938

IUPACN-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(N2CCN(CC3(Nc4ncnc5[nH]ncc45)CC3)CC2)cc1
InChIInChI=1S/C19H23N7/c1-2-4-15(5-3-1)26-10-8-25(9-11-26)13-19(6-7-19)23-17-16-12-22-24-18(16)21-14-20-17/h1-5,12,14H,6-11,13H2,(H2,20,21,22,23,24)
InChIKeyYUCJHEBXXFORAJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.12
Rot. Bonds5

About N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 154778938) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID154778938
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(N2CCN(CC3(Nc4ncnc5[nH]ncc45)CC3)CC2)cc1
InChIInChI=1S/C19H23N7/c1-2-4-15(5-3-1)26-10-8-25(9-11-26)13-19(6-7-19)23-17-16-12-22-24-18(16)21-14-20-17/h1-5,12,14H,6-11,13H2,(H2,20,21,22,23,24)
InChIKeyYUCJHEBXXFORAJ-UHFFFAOYSA-N
XLogP2.12
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 154778938) is N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(N2CCN(CC3(Nc4ncnc5[nH]ncc45)CC3)CC2)cc1.
What is the InChIKey of N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YUCJHEBXXFORAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-2-4-15(5-3-1)26-10-8-25(9-11-26)13-19(6-7-19)23-17-16-12-22-24-18(16)21-14-20-17/h1-5,12,14H,6-11,13H2,(H2,20,21,22,23,24).
What are the key properties of N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154778938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).