3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide

C21H26N6O3 — CID 42099766

IUPAC3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C21H26N6O3/c1-29-17-5-2-16(3-6-17)4-7-19(28)22-8-9-27-21-18(14-25-27)20(23-15-24-21)26-10-12-30-13-11-26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,22,28)
InChIKeyRHFONPVPDXMKRS-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.42
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide (PubChem CID 42099766) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
PubChem CID42099766
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)cc1
InChIInChI=1S/C21H26N6O3/c1-29-17-5-2-16(3-6-17)4-7-19(28)22-8-9-27-21-18(14-25-27)20(23-15-24-21)26-10-12-30-13-11-26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,22,28)
InChIKeyRHFONPVPDXMKRS-UHFFFAOYSA-N
XLogP1.42
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide (CID 42099766) is 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide is COc1ccc(CCC(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The InChIKey is RHFONPVPDXMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-29-17-5-2-16(3-6-17)4-7-19(28)22-8-9-27-21-18(14-25-27)20(23-15-24-21)26-10-12-30-13-11-26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,22,28).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide has a molecular weight of 410.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 42099766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).