4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C24H23N7OS — CID 169032486

IUPAC4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4sc(-c5cnn(C)c5)cc4n3)n2)c1
InChIInChI=1S/C24H23N7OS/c1-16-4-3-5-17(12-16)19-6-7-31(28-19)24-26-20-13-21(18-14-25-29(2)15-18)33-22(20)23(27-24)30-8-10-32-11-9-30/h3-7,12-15H,8-11H2,1-2H3
InChIKeyDUXOUBNNZJWJGI-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.09
Rot. Bonds4

About 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 169032486) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID169032486
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4sc(-c5cnn(C)c5)cc4n3)n2)c1
InChIInChI=1S/C24H23N7OS/c1-16-4-3-5-17(12-16)19-6-7-31(28-19)24-26-20-13-21(18-14-25-29(2)15-18)33-22(20)23(27-24)30-8-10-32-11-9-30/h3-7,12-15H,8-11H2,1-2H3
InChIKeyDUXOUBNNZJWJGI-UHFFFAOYSA-N
XLogP4.09
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032510
[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-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166738323
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
CID 156832171
N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
CID 169032630
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 169032486) is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4sc(-c5cnn(C)c5)cc4n3)n2)c1.
What is the InChIKey of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is DUXOUBNNZJWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-16-4-3-5-17(12-16)19-6-7-31(28-19)24-26-20-13-21(18-14-25-29(2)15-18)33-22(20)23(27-24)30-8-10-32-11-9-30/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 457.56 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 169032486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).