4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine

C20H26N6O — CID 156634769

IUPAC4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCCCc1nn(C)c2c(N3CCOCC3)nc(CCc3cccnc3)nc12
InChIInChI=1S/C20H26N6O/c1-3-5-16-18-19(25(2)24-16)20(26-10-12-27-13-11-26)23-17(22-18)8-7-15-6-4-9-21-14-15/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3
InChIKeyOEMMVDPQFCVXEG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.33
Rot. Bonds6

About 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 156634769) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID156634769
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCCCc1nn(C)c2c(N3CCOCC3)nc(CCc3cccnc3)nc12
InChIInChI=1S/C20H26N6O/c1-3-5-16-18-19(25(2)24-16)20(26-10-12-27-13-11-26)23-17(22-18)8-7-15-6-4-9-21-14-15/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3
InChIKeyOEMMVDPQFCVXEG-UHFFFAOYSA-N
XLogP2.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 156634769) is 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine is CCCc1nn(C)c2c(N3CCOCC3)nc(CCc3cccnc3)nc12.
What is the InChIKey of 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is OEMMVDPQFCVXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-5-16-18-19(25(2)24-16)20(26-10-12-27-13-11-26)23-17(22-18)8-7-15-6-4-9-21-14-15/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3.
What are the key properties of 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 366.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethyl)pyrazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 156634769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).