N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H17IN6 — CID 91755831

IUPACN-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESIc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1
InChIInChI=1S/C16H17IN6/c17-11-2-1-3-12(8-11)22-15-14-9-21-23(16(14)20-10-19-15)13-4-6-18-7-5-13/h1-3,8-10,13,18H,4-7H2,(H,19,20,22)
InChIKeyJAMBVAHQMBPJJI-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.10
Rot. Bonds3

About N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 91755831) has the molecular formula C16H17IN6 and a molecular weight of 420.26 g/mol. Its IUPAC name is N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID91755831
Molecular FormulaC16H17IN6
Molecular Weight420.26 g/mol
Exact Mass420.06
IUPAC NameN-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESIc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1
InChIInChI=1S/C16H17IN6/c17-11-2-1-3-12(8-11)22-15-14-9-21-23(16(14)20-10-19-15)13-4-6-18-7-5-13/h1-3,8-10,13,18H,4-7H2,(H,19,20,22)
InChIKeyJAMBVAHQMBPJJI-UHFFFAOYSA-N
XLogP3.10
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756034
N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755669
N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756043
N-[2,5-bis(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756003
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755812
3-[[6-(3-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide
CID 44621700
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
4-(3-methylpiperidin-1-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
CID 91755584
N-(4-iodophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1390944
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 110435024

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 91755831) is N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Ic1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1.
What is the InChIKey of N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JAMBVAHQMBPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN6/c17-11-2-1-3-12(8-11)22-15-14-9-21-23(16(14)20-10-19-15)13-4-6-18-7-5-13/h1-3,8-10,13,18H,4-7H2,(H,19,20,22).
What are the key properties of N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 420.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91755831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).