N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C22H29N7 — CID 8546583

IUPACN-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCCC3)nc(N3CCN(c4ccccc4)CC3)nc21
InChIInChI=1S/C22H29N7/c1-27-21-19(16-23-27)20(24-17-8-4-2-5-9-17)25-22(26-21)29-14-12-28(13-15-29)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3,(H,24,25,26)
InChIKeyKCWHCGOGBYYVQS-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.43
Rot. Bonds4

About N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 8546583) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID8546583
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC NameN-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCCC3)nc(N3CCN(c4ccccc4)CC3)nc21
InChIInChI=1S/C22H29N7/c1-27-21-19(16-23-27)20(24-17-8-4-2-5-9-17)25-22(26-21)29-14-12-28(13-15-29)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3,(H,24,25,26)
InChIKeyKCWHCGOGBYYVQS-UHFFFAOYSA-N
XLogP3.43
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 8546583) is N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CCCCC3)nc(N3CCN(c4ccccc4)CC3)nc21.
What is the InChIKey of N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KCWHCGOGBYYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-27-21-19(16-23-27)20(24-17-8-4-2-5-9-17)25-22(26-21)29-14-12-28(13-15-29)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3,(H,24,25,26).
What are the key properties of N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 8546583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).