3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C22H32N8O2 — CID 11633571

IUPAC3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(N3CCN[C@H](C)C3)nc(Nc3ccccn3)c21
InChIInChI=1S/C22H32N8O2/c1-4-12-32-13-11-30-20-19(17(28-30)15-31-3)26-22(29-10-9-23-16(2)14-29)27-21(20)25-18-7-5-6-8-24-18/h5-8,16,23H,4,9-15H2,1-3H3,(H,24,25,26,27)/t16-/m1/s1
InChIKeyYOIADBZBIOMCDL-MRXNPFEDSA-N
MW440.55 g/mol
LogP2.34
Rot. Bonds10

About 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 11633571) has the molecular formula C22H32N8O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID11633571
Molecular FormulaC22H32N8O2
Molecular Weight440.55 g/mol
Exact Mass440.26
IUPAC Name3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(N3CCN[C@H](C)C3)nc(Nc3ccccn3)c21
InChIInChI=1S/C22H32N8O2/c1-4-12-32-13-11-30-20-19(17(28-30)15-31-3)26-22(29-10-9-23-16(2)14-29)27-21(20)25-18-7-5-6-8-24-18/h5-8,16,23H,4,9-15H2,1-3H3,(H,24,25,26,27)/t16-/m1/s1
InChIKeyYOIADBZBIOMCDL-MRXNPFEDSA-N
XLogP2.34
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
1-(2-ethoxyethyl)-3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11574797
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)piperidin-4-yl)methanol
CID 11611915
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11682414
3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11720166

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 11633571) is 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCCOCCn1nc(COC)c2nc(N3CCN[C@H](C)C3)nc(Nc3ccccn3)c21.
What is the InChIKey of 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YOIADBZBIOMCDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N8O2/c1-4-12-32-13-11-30-20-19(17(28-30)15-31-3)26-22(29-10-9-23-16(2)14-29)27-21(20)25-18-7-5-6-8-24-18/h5-8,16,23H,4,9-15H2,1-3H3,(H,24,25,26,27)/t16-/m1/s1.
What are the key properties of 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 440.55 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 11633571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).