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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Related Compounds

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 67161981
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 22331907
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
CID 133129460
1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
ethyl 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 27651859
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
(E)-3-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-4,4-dimethylpent-2-enoic acid
CID 67163121

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).