4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C16H18ClN7 — CID 67163166

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(Cl)cc1N1CCN(c2nc(N)nc3[nH]ncc23)CC1
InChIInChI=1S/C16H18ClN7/c1-10-2-3-11(17)8-13(10)23-4-6-24(7-5-23)15-12-9-19-22-14(12)20-16(18)21-15/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21,22)
InChIKeyWENXGABSSNOICL-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.22
Rot. Bonds2

About 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 67163166) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID67163166
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(Cl)cc1N1CCN(c2nc(N)nc3[nH]ncc23)CC1
InChIInChI=1S/C16H18ClN7/c1-10-2-3-11(17)8-13(10)23-4-6-24(7-5-23)15-12-9-19-22-14(12)20-16(18)21-15/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21,22)
InChIKeyWENXGABSSNOICL-UHFFFAOYSA-N
XLogP2.22
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 67163166) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(Cl)cc1N1CCN(c2nc(N)nc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is WENXGABSSNOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7/c1-10-2-3-11(17)8-13(10)23-4-6-24(7-5-23)15-12-9-19-22-14(12)20-16(18)21-15/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 343.82 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 67163166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).