N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C22H24N6O2 — CID 17393784

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25)
InChIKeyPPHMTXFMIKBHJX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17393784) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17393784
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25)
InChIKeyPPHMTXFMIKBHJX-UHFFFAOYSA-N
XLogP3.20
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17393784) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C(CNc2ncnc3c2cnn3-c2ccccc2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PPHMTXFMIKBHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16-7-8-20(30-16)19(27-9-11-29-12-10-27)14-23-21-18-13-26-28(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,24,25).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17393784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).