4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine

C23H28N6O3 — CID 90098761

IUPAC4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine
SMILESCOc1cncc2nc(N3CCOCC3)nc(N3CCN[C@@H](COc4ccccc4)C3)c12
InChIInChI=1S/C23H28N6O3/c1-30-20-14-24-13-19-21(20)22(27-23(26-19)28-9-11-31-12-10-28)29-8-7-25-17(15-29)16-32-18-5-3-2-4-6-18/h2-6,13-14,17,25H,7-12,15-16H2,1H3/t17-/m1/s1
InChIKeyXAPGPRCKQCPIGW-QGZVFWFLSA-N
MW436.52 g/mol
LogP1.73
Rot. Bonds6

About 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine

4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 90098761) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID90098761
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine
SMILESCOc1cncc2nc(N3CCOCC3)nc(N3CCN[C@@H](COc4ccccc4)C3)c12
InChIInChI=1S/C23H28N6O3/c1-30-20-14-24-13-19-21(20)22(27-23(26-19)28-9-11-31-12-10-28)29-8-7-25-17(15-29)16-32-18-5-3-2-4-6-18/h2-6,13-14,17,25H,7-12,15-16H2,1H3/t17-/m1/s1
InChIKeyXAPGPRCKQCPIGW-QGZVFWFLSA-N
XLogP1.73
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine (CID 90098761) is 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine is COc1cncc2nc(N3CCOCC3)nc(N3CCN[C@@H](COc4ccccc4)C3)c12.
What is the InChIKey of 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is XAPGPRCKQCPIGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-30-20-14-24-13-19-21(20)22(27-23(26-19)28-9-11-31-12-10-28)29-8-7-25-17(15-29)16-32-18-5-3-2-4-6-18/h2-6,13-14,17,25H,7-12,15-16H2,1H3/t17-/m1/s1.
What are the key properties of 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine?
4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 436.52 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 90098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).