5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide

C21H22N8O3 — CID 24775734

IUPAC5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C(N)=O)no4)n3)n[nH]2)cc1
InChIInChI=1S/C21H22N8O3/c1-31-15-6-3-13(4-7-15)2-5-14-10-19(28-27-14)25-18-8-9-23-21(26-18)24-12-16-11-17(20(22)30)29-32-16/h3-4,6-11H,2,5,12H2,1H3,(H2,22,30)(H3,23,24,25,26,27,28)
InChIKeyZUGOURDOKPLESR-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.44
Rot. Bonds10

About 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide

5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24775734) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24775734
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C(N)=O)no4)n3)n[nH]2)cc1
InChIInChI=1S/C21H22N8O3/c1-31-15-6-3-13(4-7-15)2-5-14-10-19(28-27-14)25-18-8-9-23-21(26-18)24-12-16-11-17(20(22)30)29-32-16/h3-4,6-11H,2,5,12H2,1H3,(H2,22,30)(H3,23,24,25,26,27,28)
InChIKeyZUGOURDOKPLESR-UHFFFAOYSA-N
XLogP2.44
TPSA156.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-[5-[2-(4-methoxy-2-methylphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24775638
4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 23642169
N-methyl-3-[2-[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzamide
CID 68875184
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 141196960
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24774914
N-(2-amino-4-fluorophenyl)-4-[[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]benzamide
CID 166810140
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)urea
CID 118888864
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide (CID 24775734) is 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCc2cc(Nc3ccnc(NCc4cc(C(N)=O)no4)n3)n[nH]2)cc1.
What is the InChIKey of 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZUGOURDOKPLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c1-31-15-6-3-13(4-7-15)2-5-14-10-19(28-27-14)25-18-8-9-23-21(26-18)24-12-16-11-17(20(22)30)29-32-16/h3-4,6-11H,2,5,12H2,1H3,(H2,22,30)(H3,23,24,25,26,27,28).
What are the key properties of 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide?
5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.44, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).