ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate

C23H22N6O4 — CID 177283420

IUPACethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1
InChIInChI=1S/C23H22N6O4/c1-3-32-17(30)11-33-14-6-4-5-13(9-14)23-27-20(19(24)21(28-23)22(25)31)18-12(2)7-8-16-15(18)10-26-29-16/h4-10H,3,11,24H2,1-2H3,(H2,25,31)(H,26,29)
InChIKeyULAMBXOCCASYAF-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.62
Rot. Bonds7

About ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate

ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate (PubChem CID 177283420) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
PubChem CID177283420
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Nameethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1
InChIInChI=1S/C23H22N6O4/c1-3-32-17(30)11-33-14-6-4-5-13(9-14)23-27-20(19(24)21(28-23)22(25)31)18-12(2)7-8-16-15(18)10-26-29-16/h4-10H,3,11,24H2,1-2H3,(H2,25,31)(H,26,29)
InChIKeyULAMBXOCCASYAF-UHFFFAOYSA-N
XLogP2.62
TPSA159.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate with MolForge

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Related Compounds

5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(4-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 177283645
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346531
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283677
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(2-pyrazol-1-ylethoxy)pyrimidin-4-yl]pyridine-2-carboxamide
CID 177283533
3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283580
3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283444

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate (CID 177283420) is ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate is CCOC(=O)COc1cccc(-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4[nH]ncc34)n2)c1.
What is the InChIKey of ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate?
The InChIKey is ULAMBXOCCASYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-3-32-17(30)11-33-14-6-4-5-13(9-14)23-27-20(19(24)21(28-23)22(25)31)18-12(2)7-8-16-15(18)10-26-29-16/h4-10H,3,11,24H2,1-2H3,(H2,25,31)(H,26,29).
What are the key properties of ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate?
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate has a molecular weight of 446.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate is sourced from PubChem (CID 177283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).