3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

C25H28N6O2 — CID 122648801

IUPAC3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C
InChIInChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29)
InChIKeyRPWRIUTZTUQYNS-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 122648801) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID122648801
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C
InChIInChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29)
InChIKeyRPWRIUTZTUQYNS-UHFFFAOYSA-N
XLogP4.26
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (CID 122648801) is 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is RPWRIUTZTUQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 444.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 122648801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).