1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine

C23H23ClN6O — CID 45497509

IUPAC1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCC(Nc1nc(N2CCOCC2)c2cnn(-c3ccc(Cl)cc3)c2n1)c1ccccc1
InChIInChI=1S/C23H23ClN6O/c1-16(17-5-3-2-4-6-17)26-23-27-21(29-11-13-31-14-12-29)20-15-25-30(22(20)28-23)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3,(H,26,27,28)
InChIKeyLVVJGJZUHHVLPQ-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine

1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 45497509) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID45497509
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCC(Nc1nc(N2CCOCC2)c2cnn(-c3ccc(Cl)cc3)c2n1)c1ccccc1
InChIInChI=1S/C23H23ClN6O/c1-16(17-5-3-2-4-6-17)26-23-27-21(29-11-13-31-14-12-29)20-15-25-30(22(20)28-23)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3,(H,26,27,28)
InChIKeyLVVJGJZUHHVLPQ-UHFFFAOYSA-N
XLogP4.48
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 45497509) is 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine is CC(Nc1nc(N2CCOCC2)c2cnn(-c3ccc(Cl)cc3)c2n1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is LVVJGJZUHHVLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-16(17-5-3-2-4-6-17)26-23-27-21(29-11-13-31-14-12-29)20-15-25-30(22(20)28-23)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3,(H,26,27,28).
What are the key properties of 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 434.93 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-morpholin-4-yl-N-(1-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 45497509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).