4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C21H19BrN6O2 — CID 168922463

IUPAC4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2ccn(-c3nc(N4CCOCC4)c4ncc(Br)cc4n3)n2)cc1
InChIInChI=1S/C21H19BrN6O2/c1-29-16-4-2-14(3-5-16)17-6-7-28(26-17)21-24-18-12-15(22)13-23-19(18)20(25-21)27-8-10-30-11-9-27/h2-7,12-13H,8-11H2,1H3
InChIKeyNPULOUIPVDBJHY-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.49
Rot. Bonds4

About 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 168922463) has the molecular formula C21H19BrN6O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID168922463
Molecular FormulaC21H19BrN6O2
Molecular Weight467.33 g/mol
Exact Mass466.08
IUPAC Name4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2ccn(-c3nc(N4CCOCC4)c4ncc(Br)cc4n3)n2)cc1
InChIInChI=1S/C21H19BrN6O2/c1-29-16-4-2-14(3-5-16)17-6-7-28(26-17)21-24-18-12-15(22)13-23-19(18)20(25-21)27-8-10-30-11-9-27/h2-7,12-13H,8-11H2,1H3
InChIKeyNPULOUIPVDBJHY-UHFFFAOYSA-N
XLogP3.49
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(3-pyridin-2-ylpyrazol-1-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922650
ethane;[2-[4-(3-methoxyphenyl)pyrazol-1-yl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 168922531
4-[7-chloro-2-[4-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 118237190
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
CID 169032688
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
CID 168922498
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032486
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 168922463) is 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COc1ccc(-c2ccn(-c3nc(N4CCOCC4)c4ncc(Br)cc4n3)n2)cc1.
What is the InChIKey of 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is NPULOUIPVDBJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6O2/c1-29-16-4-2-14(3-5-16)17-6-7-28(26-17)21-24-18-12-15(22)13-23-19(18)20(25-21)27-8-10-30-11-9-27/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 467.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 168922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).