N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide

C16H17N7O2 — CID 11996107

IUPACN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide
SMILESNc1ncnc2c1cnn2-c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17N7O2/c17-14-13-9-20-23(15(13)19-10-18-14)12-3-1-11(2-4-12)21-16(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H,21,24)(H2,17,18,19)
InChIKeyDFZHRTHBOOMGSC-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.26
Rot. Bonds2

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide (PubChem CID 11996107) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide
PubChem CID11996107
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide
SMILESNc1ncnc2c1cnn2-c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17N7O2/c17-14-13-9-20-23(15(13)19-10-18-14)12-3-1-11(2-4-12)21-16(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H,21,24)(H2,17,18,19)
InChIKeyDFZHRTHBOOMGSC-UHFFFAOYSA-N
XLogP1.26
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide (CID 11996107) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide is Nc1ncnc2c1cnn2-c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is DFZHRTHBOOMGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c17-14-13-9-20-23(15(13)19-10-18-14)12-3-1-11(2-4-12)21-16(24)22-5-7-25-8-6-22/h1-4,9-10H,5-8H2,(H,21,24)(H2,17,18,19).
What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide?
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 11996107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).