3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C25H28N8O3 — CID 71011724

IUPAC3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cnc(Nc2cccc(C(=O)NCc3cc(C)on3)c2)nc1-c1cnn(C(CN)C2CC2)c1
InChIInChI=1S/C25H28N8O3/c1-15-8-20(32-36-15)12-27-24(34)17-4-3-5-19(9-17)30-25-28-13-22(35-2)23(31-25)18-11-29-33(14-18)21(10-26)16-6-7-16/h3-5,8-9,11,13-14,16,21H,6-7,10,12,26H2,1-2H3,(H,27,34)(H,28,30,31)
InChIKeyPEPCYEXCHBFULL-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.23
Rot. Bonds10

About 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 71011724) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID71011724
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Name3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cnc(Nc2cccc(C(=O)NCc3cc(C)on3)c2)nc1-c1cnn(C(CN)C2CC2)c1
InChIInChI=1S/C25H28N8O3/c1-15-8-20(32-36-15)12-27-24(34)17-4-3-5-19(9-17)30-25-28-13-22(35-2)23(31-25)18-11-29-33(14-18)21(10-26)16-6-7-16/h3-5,8-9,11,13-14,16,21H,6-7,10,12,26H2,1-2H3,(H,27,34)(H,28,30,31)
InChIKeyPEPCYEXCHBFULL-UHFFFAOYSA-N
XLogP3.23
TPSA146.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

[3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 71011764
1-[3-[[4-[1-(2-cyano-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]benzoyl]piperidine-4-carbonitrile
CID 58014329
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 58014480
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
N-[(3-aminophenyl)methyl]-4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxybenzamide
CID 156865497
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 156865474
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 58014581
3-[4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 145021792
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 156865453
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3-cyclopentyl-3-[4-[2-[3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 68589239

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 71011724) is 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is COc1cnc(Nc2cccc(C(=O)NCc3cc(C)on3)c2)nc1-c1cnn(C(CN)C2CC2)c1.
What is the InChIKey of 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is PEPCYEXCHBFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-15-8-20(32-36-15)12-27-24(34)17-4-3-5-19(9-17)30-25-28-13-22(35-2)23(31-25)18-11-29-33(14-18)21(10-26)16-6-7-16/h3-5,8-9,11,13-14,16,21H,6-7,10,12,26H2,1-2H3,(H,27,34)(H,28,30,31).
What are the key properties of 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 488.55 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(2-amino-1-cyclopropylethyl)pyrazol-4-yl]-5-methoxypyrimidin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71011724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).